| Year |
Citation |
Score |
| 2024 |
Huber ME, Lewis TWR, Meta M, Ard SG, Liu Y, Sweeny BC, Guo H, Ončák M, Shuman NS, Meyer J. Ta and Nb + CO: intersystem crossing in ion-molecule reactions. Physical Chemistry Chemical Physics : Pccp. 26: 8670-8680. PMID 38437035 DOI: 10.1039/d3cp05549c |
0.31 |
|
| 2024 |
Lu D, Alves MO, Galvão BRL, Guo H. Theoretical study of the O(3P) + CN(X2Σ+) → CO(X1Σ+) + N(2D)/N(4S) reactions. The Journal of Chemical Physics. 160. PMID 38345113 DOI: 10.1063/5.0188867 |
0.337 |
|
| 2024 |
Yuan DF, Liu Y, Trabelsi T, Zhang YR, Li J, Francisco JS, Guo H, Wang LS. Probing the dynamics and bottleneck of the key atmospheric SO oxidation reaction by the hydroxyl radical. Proceedings of the National Academy of Sciences of the United States of America. 121: e2314819121. PMID 38285944 DOI: 10.1073/pnas.2314819121 |
0.303 |
|
| 2023 |
Alves MO, Mota VC, Braga JP, Varandas AJC, Guo H, Galvão BRL. High-accuracy DMBE potential energy surface for CNO(A''4) and the rate coefficients for the C + NO reaction in the A'2, A''2, and A''4 states. The Journal of Chemical Physics. 159. PMID 38054514 DOI: 10.1063/5.0180918 |
0.312 |
|
| 2023 |
Han S, Xie C, Hu X, Yarkony DR, Guo H, Xie D. Quantum Dynamics of Photodissociation: Recent Advances and Challenges. The Journal of Physical Chemistry Letters. 10517-10530. PMID 37970789 DOI: 10.1021/acs.jpclett.3c02735 |
0.807 |
|
| 2023 |
Pan H, Zhao B, Guo H, Liu K. State-to-State Dynamics in Mode-Selective Polyatomic Reactions. The Journal of Physical Chemistry Letters. 10412-10419. PMID 37955874 DOI: 10.1021/acs.jpclett.3c02853 |
0.457 |
|
| 2023 |
Lu D, González M, Guo H. Formation of N(D) from Hyperthermal Collisions between O(P) and NO(XΠ). The Journal of Physical Chemistry. A. 127: 8615-8622. PMID 37815918 DOI: 10.1021/acs.jpca.3c05680 |
0.339 |
|
| 2023 |
Guan Y, Xie C, Guo H, Yarkony DR. Toward a Unified Analytical Description of Internal Conversion and Intersystem Crossing in the Photodissociation of Thioformaldehyde. I. Diabatic Singlet States. Journal of Chemical Theory and Computation. PMID 37698839 DOI: 10.1021/acs.jctc.3c00628 |
0.317 |
|
| 2023 |
Perera CA, Amarasinghe C, Guo H, Suits AG. Cold collisions of hot molecules. Physical Chemistry Chemical Physics : Pccp. 25: 22595-22606. PMID 37602475 DOI: 10.1039/d3cp02071a |
0.305 |
|
| 2023 |
Venkataramanababu S, Li A, Antonov IO, Dragan JB, Stollenwerk PR, Guo H, Odom BC. Enhancing reactivity of SiO ions by controlled excitation to extreme rotational states. Nature Communications. 14: 4446. PMID 37488115 DOI: 10.1038/s41467-023-40135-x |
0.341 |
|
| 2023 |
Zhang G, Lu D, Ding Y, Guan L, Han S, Guo H, Gao H. Imaging of the charge-transfer reaction of spin-orbit state-selected Ar(P) with N reveals vibrational-state-specific mechanisms. Nature Chemistry. PMID 37474867 DOI: 10.1038/s41557-023-01278-y |
0.787 |
|
| 2023 |
Lu D, Galvão BRL, Varandas AJC, Guo H. Quantum and semiclassical studies of nonadiabatic electronic transitions between N(S) and N(D) by collisions with N. Physical Chemistry Chemical Physics : Pccp. 25: 15656-15665. PMID 37278325 DOI: 10.1039/d3cp01429k |
0.317 |
|
| 2023 |
da Silva H, Yao Q, Morita M, Kendrick BK, Guo H, Balakrishnan N. The Li + CaF → Ca + LiF chemical reaction under cold conditions. Physical Chemistry Chemical Physics : Pccp. PMID 37165736 DOI: 10.1039/d3cp01464a |
0.332 |
|
| 2023 |
Wang J, An F, Chen J, Hu X, Guo H, Xie D. Accurate Full-Dimensional Global Diabatic Potential Energy Matrix for the Two Lowest-Lying Electronic States of the H + O ↔ HO + O Reaction. Journal of Chemical Theory and Computation. PMID 37161259 DOI: 10.1021/acs.jctc.3c00291 |
0.613 |
|
| 2023 |
Lu D, Guo H. Quantum and Semiclassical Dynamics of Nonadiabatic Electronic Excitation of C(P) to CD) by Hyperthermal Collisions with N. The Journal of Physical Chemistry. A. PMID 36989004 DOI: 10.1021/acs.jpca.3c00893 |
0.358 |
|
| 2023 |
Lu D, Urzúa-Leiva R, Denis-Alpizar O, Guo H. Hyperthermal Dynamics and Kinetics of the C(P) + N(X) → CN(X) + N(S) Reaction. The Journal of Physical Chemistry. A. PMID 36944165 DOI: 10.1021/acs.jpca.3c00210 |
0.363 |
|
| 2023 |
Croft JFE, Jambrina PG, Aoiz FJ, Guo H, Balakrishnan N. Cold Collisions of Ro-Vibrationally Excited D Molecules. The Journal of Physical Chemistry. A. 127: 1619-1627. PMID 36787203 DOI: 10.1021/acs.jpca.2c08855 |
0.313 |
|
| 2023 |
Yang D, Chai S, Xie D, Guo H. ABC+D: A time-independent coupled-channel quantum dynamics program for elastic and ro-vibrational inelastic scattering between atoms and triatomic molecules in full dimensionality. The Journal of Chemical Physics. 158: 054801. PMID 36754781 DOI: 10.1063/5.0137628 |
0.567 |
|
| 2023 |
Yang D, Guo H, Xie D. Recent advances in quantum theory on ro-vibrationally inelastic scattering. Physical Chemistry Chemical Physics : Pccp. PMID 36602236 DOI: 10.1039/d2cp05069b |
0.542 |
|
| 2022 |
Liu L, Yang D, Guo H, Xie D. Full-Dimensional Quantum Dynamics Studies of Ro-vibrationally Inelastic Scattering of HO with Ar: A Benchmark Test of the Rigid-Rotor Approximation. The Journal of Physical Chemistry. A. 127: 195-202. PMID 36574615 DOI: 10.1021/acs.jpca.2c07746 |
0.589 |
|
| 2022 |
Babin MC, DeWitt M, Lau JA, Weichman ML, Kim JB, Song H, Guo H, Neumark DM. Observation of resonances in the transition state region of the F + NH reaction using anion photoelectron spectroscopy. Nature Chemistry. PMID 36509851 DOI: 10.1038/s41557-022-01100-1 |
0.35 |
|
| 2022 |
Liu Y, Huang J, Yang D, Xie D, Guo H. Global Full-Dimensional Potential Energy Surface for the Reaction NaRb + NaRb → Na + Rb and the Formation Rate and Lifetime of the NaRb Collision Complex. The Journal of Physical Chemistry. A. PMID 36417561 DOI: 10.1021/acs.jpca.2c06438 |
0.603 |
|
| 2022 |
Yang D, Xie D, Guo H. Extended coupled-states approximation for full-dimensional quantum treatments of rovibrationally inelastic scattering between atoms and triatomic molecules. The Journal of Chemical Physics. 157: 164111. PMID 36319411 DOI: 10.1063/5.0120536 |
0.555 |
|
| 2022 |
Han S, Zhao B, Conte R, Malbon CL, Bowman JM, Yarkony DR, Guo H. Nonadiabatic Reactive Quenching of OH(Σ) by H: Origin of High Vibrational Excitation in the HO Product. The Journal of Physical Chemistry. A. PMID 36137233 DOI: 10.1021/acs.jpca.2c05704 |
0.796 |
|
| 2022 |
Han S, Schröder M, Gatti F, Meyer HD, Lauvergnat D, Yarkony DR, Guo H. Representation of Diabatic Potential Energy Matrices for Multiconfiguration Time-Dependent Hartree Treatments of High-Dimensional Nonadiabatic Photodissociation Dynamics. Journal of Chemical Theory and Computation. PMID 35839299 DOI: 10.1021/acs.jctc.2c00370 |
0.781 |
|
| 2022 |
Foley CD, Xie C, Guo H, Suits AG. Quantum resonances and roaming dynamics in formaldehyde photodissociation. Faraday Discussions. PMID 35792611 DOI: 10.1039/d2fd00050d |
0.356 |
|
| 2022 |
Sun G, Han S, Zheng X, Song Y, Qin Y, Dawes R, Xie D, Zhang J, Guo H. Unimolecular dissociation dynamics of electronically excited HCO(ÃA''): rotational control of nonadiabatic decay. Faraday Discussions. PMID 35781478 DOI: 10.1039/d2fd00011c |
0.811 |
|
| 2022 |
Wang Y, Guo H, Yarkony DR. Internal conversion and intersystem crossing dynamics based on coupled potential energy surfaces with full geometry-dependent spin-orbit and derivative couplings. Nonadiabatic photodissociation dynamics of NH(A) leading to the NH(XΣ, aΔ) + H channel. Physical Chemistry Chemical Physics : Pccp. PMID 35696936 DOI: 10.1039/d2cp01271e |
0.342 |
|
| 2022 |
Yang D, Liu L, Xie D, Guo H. Full-dimensional quantum studies of vibrational energy transfer dynamics between HO and Ar: theory assessing experiment. Physical Chemistry Chemical Physics : Pccp. 24: 13542-13549. PMID 35634902 DOI: 10.1039/d2cp01230h |
0.647 |
|
| 2022 |
Perera CA, Zuo J, Guo H, Suits AG. Differential Cross Sections for Cold, State-to-State Spin-Orbit Changing Collisions of NO( = 10) with Neon. The Journal of Physical Chemistry. A. PMID 35605132 DOI: 10.1021/acs.jpca.2c02698 |
0.322 |
|
| 2022 |
Han S, de Oliveira-Filho AGS, Shu Y, Truhlar DG, Guo H. Semiclassical Trajectory Studies of Reactive and Nonreactive Scattering of OH(A 2S+) by H2 Based on an Improved Full-Dimensional Ab Initio Diabatic Potential Energy Matrix. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 35179813 DOI: 10.1002/cphc.202200039 |
0.786 |
|
| 2022 |
Chen Q, Zhang S, Hu X, Xie D, Guo H. Reaction Pathway Control via Reactant Vibrational Excitation and Impact on Product Vibrational Distributions: The O + HO → OH + O Atmospheric Reaction. The Journal of Physical Chemistry Letters. 13: 1872-1878. PMID 35175051 DOI: 10.1021/acs.jpclett.2c00053 |
0.589 |
|
| 2022 |
Yang D, Xie D, Guo H. Stereodynamical Control of Cold Collisions of Polyatomic Molecules with Atoms. The Journal of Physical Chemistry Letters. 13: 1777-1784. PMID 35167302 DOI: 10.1021/acs.jpclett.2c00187 |
0.568 |
|
| 2021 |
Lu D, Chen J, Guo H, Li J. Vibrational energy pooling collisions between asymmetric stretching excited CO: a quasi-classical trajectory study on an accurate full-dimensional potential energy surface. Physical Chemistry Chemical Physics : Pccp. PMID 34671798 DOI: 10.1039/d1cp03687d |
0.382 |
|
| 2021 |
Guan Y, Xie C, Yarkony DR, Guo H. High-fidelity first principles nonadiabaticity: diabatization, analytic representation of global diabatic potential energy matrices, and quantum dynamics. Physical Chemistry Chemical Physics : Pccp. PMID 34473156 DOI: 10.1039/d1cp03008f |
0.339 |
|
| 2021 |
Zhao B, Han S, Malbon CL, Manthe U, Yarkony DR, Guo H. Full-dimensional quantum stereodynamics of the non-adiabatic quenching of OH(AΣ) by H. Nature Chemistry. PMID 34373597 DOI: 10.1038/s41557-021-00730-1 |
0.811 |
|
| 2021 |
Yang D, Xie D, Guo H. A Time-Independent Quantum Approach to Ro-vibrationally Inelastic Scattering between Atoms and Triatomic Molecules. The Journal of Physical Chemistry. A. PMID 34342998 DOI: 10.1021/acs.jpca.1c05237 |
0.568 |
|
| 2021 |
Huang J, Yang D, Zuo J, Hu X, Xie D, Guo H. Full-Dimensional Global Potential Energy Surface for the KRb + KRb → KRb* → K + Rb Reaction with Accurate Long-Range Interactions and Quantum Statistical Calculation of the Product State Distribution under Ultracold Conditions. The Journal of Physical Chemistry. A. PMID 34251201 DOI: 10.1021/acs.jpca.1c04506 |
0.618 |
|
| 2021 |
Han S, Sun G, Zheng X, Song Y, Dawes R, Xie D, Zhang J, Guo H. Rotational Modulation of ″-State Photodissociation of HCO via Renner-Teller Nonadiabatic Transitions. The Journal of Physical Chemistry Letters. 6582-6588. PMID 34242507 DOI: 10.1021/acs.jpclett.1c01932 |
0.8 |
|
| 2021 |
Liu Y, Hu MG, Nichols MA, Yang D, Xie D, Guo H, Ni KK. Precision test of statistical dynamics with state-to-state ultracold chemistry. Nature. 593: 379-384. PMID 34012086 DOI: 10.1038/s41586-021-03459-6 |
0.612 |
|
| 2021 |
Morita M, Zuo J, Guo H, Balakrishnan N. Rainbow scattering in rotationally inelastic collisions of HCl and H. The Journal of Chemical Physics. 154: 104304. PMID 33722024 DOI: 10.1063/5.0043658 |
0.337 |
|
| 2021 |
Chen Q, Hu X, Guo H, Xie D. Insights into the Formation of Hydroxyl Radicals with Nonthermal Vibrational Excitation in the Meinel Airglow. The Journal of Physical Chemistry Letters. 1822-1828. PMID 33577325 DOI: 10.1021/acs.jpclett.1c00159 |
0.642 |
|
| 2021 |
Chen Q, Hu X, Guo H, Xie D. Theoretical H + O rate coefficients from ring polymer molecular dynamics on an accurate global potential energy surface: assessing experimental uncertainties. Physical Chemistry Chemical Physics : Pccp. PMID 33506830 DOI: 10.1039/d0cp05771a |
0.612 |
|
| 2021 |
Nandi A, Zhang P, Chen J, Guo H, Bowman JM. Quasiclassical simulations based on cluster models reveal vibration-facilitated roaming in the isomerization of CO adsorbed on NaCl. Nature Chemistry. PMID 33462381 DOI: 10.1038/s41557-020-00612-y |
0.39 |
|
| 2020 |
Zuo J, Guo H. Time-independent quantum theory on vibrational inelastic scattering between atoms and open-shell diatomic molecules: Applications to NO + Ar and NO + H scattering. The Journal of Chemical Physics. 153: 144306. PMID 33086802 DOI: 10.1063/5.0026637 |
0.316 |
|
| 2020 |
Han S, Wang Y, Guan Y, Yarkony DR, Guo H. Impact of Diabolical Singular Points on Nonadiabatic Dynamics and A Remedy: Photodissociation of Ammonia in the First Band. Journal of Chemical Theory and Computation. PMID 32991161 DOI: 10.1021/acs.jctc.0c00811 |
0.772 |
|
| 2020 |
Li J, Zhao B, Xie D, Guo H. Advances and New Challenges to Bimolecular Reaction Dynamics Theory. The Journal of Physical Chemistry Letters. PMID 32970441 DOI: 10.1021/acs.jpclett.0c02501 |
0.595 |
|
| 2020 |
Borodin D, Rahinov I, Shirhatti PR, Huang M, Kandratsenka A, Auerbach DJ, Zhong T, Guo H, Schwarzer D, Kitsopoulos TN, Wodtke AM. Following the microscopic pathway to adsorption through chemisorption and physisorption wells. Science (New York, N.Y.). 369: 1461-1465. PMID 32943520 DOI: 10.1126/Science.Abc9581 |
0.38 |
|
| 2020 |
Wang L, Wu Z, Lu B, Eckhardt AK, Schreiner PR, Trabelsi T, Francisco JS, Yao Q, Xie C, Guo H, Zeng X. Spectroscopic identification of the •SSNO isomers. The Journal of Chemical Physics. 153: 094303. PMID 32891090 DOI: 10.1063/5.0020669 |
0.314 |
|
| 2020 |
Han S, Gunthardt CE, Dawes R, Xie D, North SW, Guo H. Origin of the "odd" behavior in the ultraviolet photochemistry of ozone. Proceedings of the National Academy of Sciences of the United States of America. PMID 32817468 DOI: 10.1073/Pnas.2006070117 |
0.791 |
|
| 2020 |
Chen J, Li J, Bowman JM, Guo H. Energy transfer between vibrationally excited carbon monoxide based on a highly accurate six-dimensional potential energy surface. The Journal of Chemical Physics. 153: 054310. PMID 32770901 DOI: 10.1063/5.0015101 |
0.453 |
|
| 2020 |
Zuo J, Chen Q, Hu X, Guo H, Xie D. Theoretical Investigations of Rate Coefficients for H+O and HO+O Reactions on a Full-Dimensional Potential Energy Surface. The Journal of Physical Chemistry. A. PMID 32686427 DOI: 10.1021/Acs.Jpca.0C04321 |
0.619 |
|
| 2020 |
Wu Q, Zhou L, Schatz GC, Zhang Y, Guo H. Mechanistic Insights into Photo-catalyzed H2 Dissociation on Au Clusters. Journal of the American Chemical Society. PMID 32615759 DOI: 10.1021/Jacs.0C04491 |
0.722 |
|
| 2020 |
Yang D, Huang J, Hu X, Xie D, Guo H. Statistical quantum mechanical approach to diatom-diatom capture dynamics and application to ultracold KRb + KRb reaction. The Journal of Chemical Physics. 152: 241103. PMID 32610944 DOI: 10.1063/5.0014805 |
0.641 |
|
| 2020 |
Li J, Varga Z, Truhlar DG, Guo H. Many-Body Permutationally-Invariant-Polynomial Neural-Network Potential Energy Surface for N. Journal of Chemical Theory and Computation. PMID 32610014 DOI: 10.1021/Acs.Jctc.0C00430 |
0.345 |
|
| 2020 |
Malbon CL, Zhao B, Guo H, Yarkony DR. On the nonadiabatic collisional quenching of OH(A) by H: a four coupled quasi-diabatic state description. Physical Chemistry Chemical Physics : Pccp. PMID 32538422 DOI: 10.1039/D0Cp01754J |
0.495 |
|
| 2020 |
Jiang B, Li J, Guo H. High-Fidelity Potential Energy Surfaces for Gas Phase and Gas-Surface Scattering Processes from Machine Learning. The Journal of Physical Chemistry Letters. PMID 32517472 DOI: 10.1021/Acs.Jpclett.0C00989 |
0.356 |
|
| 2020 |
An F, Chen J, Hu X, Guo H, Xie D. Nonadiabatic Electronic Energy Transfer in Chemical Oxygen-Iodine Laser: Powered by Derivative Coupling or Spin-Orbit Coupling? The Journal of Physical Chemistry Letters. PMID 32407092 DOI: 10.1021/Acs.Jpclett.0C01278 |
0.604 |
|
| 2020 |
Amarasinghe C, Li H, Perera CA, Besemer M, Zuo J, Xie C, van der Avoird A, Groenenboom GC, Guo H, Kłos J, Suits AG. State-to-state scattering of highly vibrationally excited NO at broadly tunable energies. Nature Chemistry. PMID 32393824 DOI: 10.1038/S41557-020-0466-8 |
0.459 |
|
| 2020 |
Yang D, Zuo J, Huang J, Hu X, Dawes R, Xie D, Guo H. A Global Full-Dimensional Potential Energy Surface for the KRb Complex and Its Lifetime. The Journal of Physical Chemistry Letters. PMID 32163714 DOI: 10.1021/Acs.Jpclett.0C00518 |
0.599 |
|
| 2020 |
Li J, Xie C, Guo H. Correction: Kinetics and dynamics of the C(P) + HO reaction on a full-dimensional accurate triplet state potential energy surface. Physical Chemistry Chemical Physics : Pccp. PMID 32030389 DOI: 10.1039/d0cp90032j |
0.335 |
|
| 2020 |
Liu Y, Song H, Xie D, Li J, Guo H. Mode Specificity in the OH + HO2 → H2O + O2 Reaction: Enhancement of Reactivity by Exciting a Spectator Mode. Journal of the American Chemical Society. PMID 32011872 DOI: 10.1021/Jacs.9B12467 |
0.648 |
|
| 2020 |
Zhou L, Wang Y, Guo H. Dynamics studies of diglycine scattering from highly oriented pyrolytic graphite Chinese Journal of Chemical Physics. 33: 196-202. DOI: 10.1063/1674-0068/Cjcp2001013 |
0.401 |
|
| 2020 |
Cueto Md, Zhou X, Zhou L, Zhang Y, Jiang B, Guo H. New Perspectives on CO2–Pt(111) Interaction with a High-Dimensional Neural Network Potential Energy Surface Journal of Physical Chemistry C. 124: 5174-5181. DOI: 10.1021/Acs.Jpcc.9B10883 |
0.312 |
|
| 2020 |
Chen J, Hariharan S, Meyer J, Guo H. Potential Energy Landscape of CO Adsorbates on NaCl(100) and Implications in Isomerization of Vibrationally Excited CO Journal of Physical Chemistry C. 124: 19146-19156. DOI: 10.1021/Acs.Jpcc.0C05985 |
0.416 |
|
| 2019 |
Lu D, Li J, Guo H. Stereodynamical control of product branching in multi-channel barrierless hydrogen abstraction of CHOH by F. Chemical Science. 10: 7994-8001. PMID 31853354 DOI: 10.1039/C9Sc02445J |
0.416 |
|
| 2019 |
Xie C, Zhao B, Malbon CL, Yarkony DR, Xie D, Guo H. Insights into the Mechanism of Nonadiabatic Photodissociation from Product Vibrational Distributions. The Remarkable Case of Phenol. The Journal of Physical Chemistry Letters. PMID 31821757 DOI: 10.1021/Acs.Jpclett.9B03407 |
0.649 |
|
| 2019 |
Meyer J, Carrascosa E, Michaelsen T, Bastian B, Li A, Guo H, Wester R. Unexpected indirect dynamics in base-induced elimination. Journal of the American Chemical Society. PMID 31782654 DOI: 10.1021/Jacs.9B10575 |
0.435 |
|
| 2019 |
Guan Y, Guo H, Yarkony DR. Extending the Representation of Multistate Coupled Potential Energy Surfaces to Include Properties Operators Using Neural Networks: Application to the 1,2 States of Ammonia. Journal of Chemical Theory and Computation. PMID 31743017 DOI: 10.1021/Acs.Jctc.9B00898 |
0.401 |
|
| 2019 |
Amarasinghe C, Li H, Perera CA, Besemer M, van der Avoird A, Groenenboom GC, Xie C, Guo H, Suits AG. Correction to Differential Cross Sections for State-to-State Collisions of NO( = 10) in Near-Copropagating Beams. The Journal of Physical Chemistry Letters. 7305. PMID 31714786 DOI: 10.1021/Acs.Jpclett.9B03189 |
0.304 |
|
| 2019 |
Yang D, Huang J, Hu X, Guo H, Xie D. Breakdown of energy transfer gap laws revealed by full-dimensional quantum scattering between HF molecules. Nature Communications. 10: 4658. PMID 31604950 DOI: 10.1038/S41467-019-12691-8 |
0.664 |
|
| 2019 |
Zhou Z, Wu Q, Wang S, Huang YT, Guo H, Feng SP, Chan PKL. Field-Effect Transistors Based on 2D Organic Semiconductors Developed by a Hybrid Deposition Method. Advanced Science (Weinheim, Baden-Wurttemberg, Germany). 6: 1900775. PMID 31592413 DOI: 10.1002/Advs.201900775 |
0.613 |
|
| 2019 |
Jambrina PG, Croft JFE, Guo H, Brouard M, Balakrishnan N, Aoiz FJ. Stereodynamical Control of a Quantum Scattering Resonance in Cold Molecular Collisions. Physical Review Letters. 123: 043401. PMID 31491255 DOI: 10.1103/Physrevlett.123.043401 |
0.351 |
|
| 2019 |
Schatz GC, McCoy AB, Shea JE, Murphy CJ, Scholes G, Batista V, Bhattacharyya K, Bisquert J, Crawford D, Cuk T, Dickson R, Fairbrother H, Forsyth M, Fourkas J, Geiger F, ... ... Guo H, et al. The Periodic Table. The Journal of Physical Chemistry. A. 123: 5837-5848. PMID 31315402 DOI: 10.1021/Acs.Jpca.9B03461 |
0.344 |
|
| 2019 |
Schatz GC, McCoy AB, Shea JE, Murphy CJ, Scholes G, Batista V, Bhattacharyya K, Bisquert J, Crawford D, Cuk T, Dickson R, Fairbrother H, Forsyth M, Fourkas J, Geiger F, ... ... Guo H, et al. The Periodic Table. The Journal of Physical Chemistry. B. 123: 5973-5984. PMID 31315401 DOI: 10.1021/Acs.Jpcb.9B03463 |
0.344 |
|
| 2019 |
Yao Q, Morita M, Xie C, Balakrishnan N, Guo H. Globally Accurate Full-Dimensional Potential Energy Surface for H + HCl Inelastic Scattering. The Journal of Physical Chemistry. A. PMID 31268323 DOI: 10.1021/Acs.Jpca.9B05958 |
0.454 |
|
| 2019 |
Hu X, Zuo J, Xie C, Dawes R, Guo H, Xie D. An ab initio based full-dimensional potential energy surface for OH + O ⇄ HO and low-lying vibrational levels of HO. Physical Chemistry Chemical Physics : Pccp. PMID 31210189 DOI: 10.1039/C9Cp02206F |
0.653 |
|
| 2019 |
Guan Y, Guo H, Yarkony DR. Neural network based quasi-diabatic Hamiltonians with symmetry adaptation and a correct description of conical intersections. The Journal of Chemical Physics. 150: 214101. PMID 31176323 DOI: 10.1063/1.5099106 |
0.346 |
|
| 2019 |
Yao Q, Xie C, Guo H. Competition between Proton Transfer and Proton Isomerization in the N + HOC Reaction on An Ab Initio Based Global Potential Energy Surface. The Journal of Physical Chemistry. A. PMID 31146531 DOI: 10.1021/Acs.Jpca.9B04115 |
0.429 |
|
| 2019 |
Benitez Y, Lu D, Lunny KG, Li J, Guo H, Continetti RE. Photoelectron-Photofragment Coincidence Studies on the Dissociation Dynamics of the OH-CH Complex. The Journal of Physical Chemistry. A. PMID 31145616 DOI: 10.1021/Acs.Jpca.9B02441 |
0.392 |
|
| 2019 |
Wang Y, Xie C, Guo H, Yarkony DR. A Quasi-Diabatic Representation of the 1,2A States of Methylamine. The Journal of Physical Chemistry. A. PMID 31141362 DOI: 10.1021/Acs.Jpca.9B03801 |
0.421 |
|
| 2019 |
Jiang B, Guo H. Dynamics in reactions on metal surfaces: A theoretical perspective. The Journal of Chemical Physics. 150: 180901. PMID 31091904 DOI: 10.1063/1.5096869 |
0.448 |
|
| 2019 |
Owen CJ, Keyes NR, Xie C, Guo H, Armentrout PB. Bond dissociation energy of Au: A guided ion beam and theoretical investigation. The Journal of Chemical Physics. 150: 174305. PMID 31067891 DOI: 10.1063/1.5092957 |
0.402 |
|
| 2019 |
Amarasinghe C, Li H, Perera C, Besemer M, van der Avoird A, Groenenboom GC, Xie C, Guo H, Suits AG. Differential Cross Sections for State-to-State Collisions of NO(v=10) in Near-Copropagating Beams. The Journal of Physical Chemistry Letters. PMID 31021645 DOI: 10.1021/Acs.Jpclett.9B00847 |
0.375 |
|
| 2019 |
Chang J, Guo L, Wang R, Mou J, Ren H, Ma J, Guo H. Absorption Spectra of Acetylene, Vinylidene, and Their Deuterated Isotopologues on Ab Initio Potential Energy and Dipole Moment Surfaces. The Journal of Physical Chemistry. A. PMID 31010288 DOI: 10.1021/Acs.Jpca.9B02662 |
0.402 |
|
| 2019 |
Kumar P, Kłos J, Poirier B, Alexander MH, Guo H. Accurate characterization of the lowest triplet potential energy surface of SO with a coupled cluster method. The Journal of Chemical Physics. 150: 144303. PMID 30981276 DOI: 10.1063/1.5088959 |
0.461 |
|
| 2019 |
Zhou L, Kandratsenka A, Campbell CT, Wodtke A, Guo H. Origin of Thermal and Hyperthermal CO2 from CO Oxidation on Platinum Surfaces: The Role of Post-Transition-State Dynamics, Active Sites, and Chemisorbed CO2. Angewandte Chemie (International Ed. in English). PMID 30861588 DOI: 10.1002/Anie.201900565 |
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| 2019 |
Al Taleb A, Anemone G, Zhou L, Guo H, Farias D. Diffraction of CH from a Metal Surface. The Journal of Physical Chemistry Letters. PMID 30855971 DOI: 10.1021/Acs.Jpclett.9B00158 |
0.399 |
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| 2019 |
Maurer RJ, Zhang Y, Guo H, Jiang B. Hot electron effects during reactive scattering of H from Ag(111): assessing the sensitivity to initial conditions, coupling magnitude, and electronic temperature. Faraday Discussions. PMID 30810552 DOI: 10.1039/C8Fd00140E |
0.377 |
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| 2019 |
Xie C, Malbon CL, Xie D, Yarkony DR, Guo H. Nonadiabatic Dynamics in Photodissociation of Hydroxymethyl in the 3A(3p ) Rydberg State: A Nine-Dimensional Quantum Study. The Journal of Physical Chemistry. A. PMID 30789267 DOI: 10.1021/Acs.Jpca.8B12184 |
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| 2019 |
Zhang Y, Maurer RJ, Guo H, Jiang B. Hot-electron effects during reactive scattering of H from Ag(111): the interplay between mode-specific electronic friction and the potential energy landscape. Chemical Science. 10: 1089-1097. PMID 30774906 DOI: 10.1039/C8Sc03955K |
0.437 |
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| 2019 |
Füchsel G, Zhou X, Jiang B, Juaristi JI, Alducin M, Guo H, Kroes GJ. Reactive and Nonreactive Scattering of HCl from Au(111): An Ab Initio Molecular Dynamics Study. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 123: 2287-2299. PMID 30740194 DOI: 10.1021/Acs.Jpcc.8B10686 |
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| 2019 |
Guo L, Li J, Ma J, Guo H. Quantum dynamical investigation of product state distributions of the F + CHOH → HF + CHO reaction via photodetachment of the F(HOCH) anion. The Journal of Chemical Physics. 150: 044301. PMID 30709270 DOI: 10.1063/1.5082274 |
0.455 |
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| 2019 |
Xie C, Malbon CL, Guo H, Yarkony DR. Up to a Sign. The Insidious Effects of Energetically Inaccessible Conical Intersections on Unimolecular Reactions. Accounts of Chemical Research. PMID 30707546 DOI: 10.1021/Acs.Accounts.8B00571 |
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| 2019 |
An F, Han S, Hu X, Xie D, Guo H. First-principles dynamics of collisional intersystem crossing: resonance enhanced quenching of C(D) by N. Physical Chemistry Chemical Physics : Pccp. PMID 30667426 DOI: 10.1039/C8Cp07171C |
0.797 |
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| 2019 |
Chen GK, Xie C, Yang T, Li A, Suits AG, Hudson ER, Campbell WC, Guo H. Isotope-selective chemistry in the Be(S) + HOD → BeOD/BeOH + H/D reaction. Physical Chemistry Chemical Physics : Pccp. PMID 30620013 DOI: 10.1039/C8Cp06690F |
0.432 |
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| 2019 |
Han S, Zheng X, Ndengué S, Song Y, Dawes R, Xie D, Zhang J, Guo H. Dynamical interference in the vibronic bond breaking reaction of HCO. Science Advances. 5: eaau0582. PMID 30613767 DOI: 10.1126/Sciadv.Aau0582 |
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| 2019 |
Zuo J, Chen Q, Hu X, Guo H, Xie D. Dissection of the multichannel reaction of acetylene with atomic oxygen: from the global potential energy surface to rate coefficients and branching dynamics. Physical Chemistry Chemical Physics : Pccp. PMID 30601503 DOI: 10.1039/C8Cp07084A |
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| 2019 |
Huang M, Zhou X, Zhang Y, Zhou L, Alducin M, Jiang B, Guo H. Adiabatic and nonadiabatic energy dissipation during scattering of vibrationally excited CO from Au(111) Physical Review B. 100. DOI: 10.1103/Physrevb.100.201407 |
0.314 |
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| 2019 |
Lu D, Xie C, Li J, Guo H. Rate coefficients and branching ratio for multi-channel hydrogen abstractions from CH3OH by F Chinese Journal of Chemical Physics. 32: 84-88. DOI: 10.1063/1674-0068/Cjcp1811256 |
0.404 |
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| 2019 |
Shuman NS, Ard SG, Sweeny BC, Pan H, Viggiano AA, Keyes NR, Guo H, Owen CJ, Armentrout PB. Au2+ cannot catalyze conversion of methane to ethene at low temperature Catalysis Science & Technology. 9: 2767-2780. DOI: 10.1039/C9Cy00523D |
0.315 |
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| 2019 |
Zhou X, Jiang B, Guo H. Corrections to “Dissociative Chemisorption of Methane on Stepped Ir(332) Surface: Density Functional Theory and Ab Initio Molecular Dynamics Studies” Journal of Physical Chemistry C. 123: 31298-31298. DOI: 10.1021/Acs.Jpcc.9B11255 |
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| 2019 |
Zhou X, Jiang B, Guo H. Dissociative Chemisorption of Methane on Stepped Ir(332) Surface: Density Functional Theory and Ab Initio Molecular Dynamics Studies Journal of Physical Chemistry C. 123: 20893-20902. DOI: 10.1021/Acs.Jpcc.9B04651 |
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| 2019 |
Cueto Md, Zhou X, Muzas AS, Díaz C, Martín F, Jiang B, Guo H. Quantum Stereodynamics of H2 Scattering from Co(0001): Influence of Reaction Channels The Journal of Physical Chemistry C. 123: 16223-16231. DOI: 10.1021/Acs.Jpcc.9B03470 |
0.374 |
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| 2019 |
Schatz GC, McCoy AB, Shea J, Murphy CJ, Scholes G, Batista V, Bhattacharyya K, Bisquert J, Crawford D, Cuk T, Dickson R, Fairbrother H, Forsyth M, Fourkas J, Geiger F, ... ... Guo H, et al. The JPC Periodic Table The Journal of Physical Chemistry C. 123: 17063-17074. DOI: 10.1021/Acs.Jpcc.9B03462 |
0.344 |
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| 2019 |
Wu Q, Zhou L, Guo H. Steric Effects in CO Oxidation on Pt(111) by Impinging Oxygen Atoms Lead to an Exclusive Hot Atom Mechanism The Journal of Physical Chemistry C. 123: 10509-10516. DOI: 10.1021/Acs.Jpcc.9B02615 |
0.661 |
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| 2019 |
Murray VJ, Zhou L, Xu C, Wang Y, Guo H, Minton TK. Scattering Dynamics of Glycine, H2O, and CO2 on Highly Oriented Pyrolytic Graphite The Journal of Physical Chemistry C. 123: 3605-3621. DOI: 10.1021/Acs.Jpcc.8B11293 |
0.37 |
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| 2019 |
Sweeny BC, Pan H, Ard SG, Shuman NS, Viggiano AA, Keyes N, Xie C, Guo H, Ushakov VG, Troe J. Mechanistic details of the MnO+ + H2/D2 reaction through temperature-dependent kinetics and statistical modeling International Journal of Mass Spectrometry. 435: 26-33. DOI: 10.1016/J.Ijms.2018.10.011 |
0.375 |
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| 2019 |
Yarkony DR, Xie C, Zhu X, Wang Y, Malbon CL, Guo H. Diabatic and adiabatic representations: Electronic structure caveats Computational and Theoretical Chemistry. 1152: 41-52. DOI: 10.1016/J.Comptc.2019.01.020 |
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| 2018 |
Guan Y, Zhang DH, Guo H, Yarkony DR. Representation of coupled adiabatic potential energy surfaces using neural network based quasi-diabatic Hamiltonians: 1,2 A' states of LiFH. Physical Chemistry Chemical Physics : Pccp. PMID 30523350 DOI: 10.1039/C8Cp06598E |
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| 2018 |
Xie C, Zhu X, Yarkony DR, Guo H. Permutation invariant polynomial neural network approach to fitting potential energy surfaces. IV. Coupled diabatic potential energy matrices. The Journal of Chemical Physics. 149: 144107. PMID 30316273 DOI: 10.1063/1.5054310 |
0.373 |
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| 2018 |
Croft JFE, Balakrishnan N, Huang M, Guo H. Unraveling the Stereodynamics of Cold Controlled HD-H_{2} Collisions. Physical Review Letters. 121: 113401. PMID 30265091 DOI: 10.1103/Physrevlett.121.113401 |
0.393 |
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| 2018 |
Han S, Xie D, Guo H. A modified Gaussian Wave Packet Method for Calculating Initial State Wavefunctions in Photodissociation. Journal of Chemical Theory and Computation. PMID 30234984 DOI: 10.1021/Acs.Jctc.8B00771 |
0.779 |
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| 2018 |
Wan Q, Wei F, Wang Y, Wang F, Zhou L, Lin S, Xie D, Guo H. Single atom detachment from Cu clusters, and diffusion and trapping on CeO(111): implications in Ostwald ripening and atomic redispersion. Nanoscale. PMID 30225476 DOI: 10.1039/C8Nr06232C |
0.538 |
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| 2018 |
Riley C, Zhou S, Kunwar D, De La Riva A, Peterson E, Payne R, Gao L, Lin S, Guo H, Datye A. Design of Effective Catalysts for Selective Alkyne Hydrogenation by Doping of Ceria with a Single-Atom Promotor. Journal of the American Chemical Society. PMID 30222338 DOI: 10.1021/Jacs.8B07789 |
0.314 |
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| 2018 |
Feng Y, Zhou L, Wan Q, Lin S, Guo H. Selective hydrogenation of 1,3-butadiene catalyzed by a single Pd atom anchored on graphene: the importance of dynamics. Chemical Science. 9: 5890-5896. PMID 30079202 DOI: 10.1039/C8Sc00776D |
0.311 |
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| 2018 |
Hu X, Yang M, Xie D, Guo H. Vibrational enhancement in the dynamics of ammonia dissociative chemisorption on Ru(0001). The Journal of Chemical Physics. 149: 044703. PMID 30068212 DOI: 10.1063/1.5043517 |
0.661 |
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| 2018 |
Zhou L, Jiang B, Alducin M, Guo H. Communication: Fingerprints of reaction mechanisms in product distributions: Eley-Rideal-type reactions between D and CD/Cu(111). The Journal of Chemical Physics. 149: 031101. PMID 30037244 DOI: 10.1063/1.5039749 |
0.362 |
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| 2018 |
Ndengue SA, Dawes R, Gatti F, Guo H. The Influence of Renner-Teller Coupling between Electronic States on H+CO Inelastic Scattering. The Journal of Physical Chemistry. A. PMID 30005166 DOI: 10.1021/Acs.Jpca.8B05235 |
0.47 |
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| 2018 |
Zhang Y, Nelson TR, Tretiak S, Guo H, Schatz GC. Plasmonic Hot-Carrier Mediated Tunable Photochemical Reactions. Acs Nano. PMID 30001116 DOI: 10.1021/Acsnano.8B03830 |
0.518 |
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| 2018 |
Stei M, Carrascosa E, Dörfler A, Meyer J, Olasz B, Czakó G, Li A, Guo H, Wester R. Stretching vibration is a spectator in nucleophilic substitution. Science Advances. 4: eaas9544. PMID 29984305 DOI: 10.1126/Sciadv.Aas9544 |
0.413 |
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| 2018 |
Kumar SS, Grussie F, Suleimanov YV, Guo H, Kreckel H. Low temperature rates for key steps of interstellar gas-phase water formation. Science Advances. 4: eaar3417. PMID 29942857 DOI: 10.1126/Sciadv.Aar3417 |
0.359 |
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| 2018 |
Zhao B, Manthe U, Guo H. Fermi resonance controlled product branching in the H + HOD reaction. Physical Chemistry Chemical Physics : Pccp. PMID 29911229 DOI: 10.1039/C8Cp02279H |
0.684 |
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| 2018 |
Yang T, Li A, Chen GK, Xie C, Suits AG, Campbell WC, Guo H, Hudson ER. Optical Control of Reactions between Water and Laser-Cooled Be Ions. The Journal of Physical Chemistry Letters. PMID 29893569 DOI: 10.1021/Acs.Jpclett.8B01437 |
0.417 |
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| 2018 |
Yin R, Zhang Y, Libisch F, Carter EA, Guo H, Jiang B. Dissociative Chemisorption of O2 on Al(111): Dynamics on A Correlated Wavefunction Based Potential Energy Surface. The Journal of Physical Chemistry Letters. PMID 29843512 DOI: 10.1021/Acs.Jpclett.8B01470 |
0.455 |
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| 2018 |
Li J, Guo H. Thermal Rate Coefficients and Kinetic Isotope Effects for the Reaction OH + CH→ HO + CHon an Ab Initio Based Potential Energy Surface. The Journal of Physical Chemistry. A. PMID 29481084 DOI: 10.1021/Acs.Jpca.8B01201 |
0.466 |
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| 2018 |
Caracciolo A, Lu D, Balucani N, Vanuzzo G, Stranges D, Wang X, Li J, Guo H, Casavecchia P. A Combined Experimental-Theoretical Study of the OH + CO → H + COReaction Dynamics. The Journal of Physical Chemistry Letters. PMID 29470075 DOI: 10.1021/Acs.Jpclett.7B03439 |
0.434 |
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| 2018 |
Zhao H, Xie D, Guo H. Quantum dynamics of ClHOphotodetachment: Isotope effect and impact of anion vibrational excitation. The Journal of Chemical Physics. 148: 064305. PMID 29448793 DOI: 10.1063/1.5020270 |
0.658 |
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| 2018 |
DeVine JA, Weichman ML, Xie C, Babin MC, Johnson MA, Ma J, Guo H, Neumark DM. Autodetachment from Vibrationally Excited Vinylidene Anions. The Journal of Physical Chemistry Letters. PMID 29438618 DOI: 10.1021/Acs.Jpclett.8B00144 |
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| 2018 |
Xie C, Liu X, Sweeny BC, Miller TM, Ard SG, Shuman NS, Viggiano AA, Guo H. Probing the rate-determining region of the potential energy surface for a prototypical ion-molecule reaction. Philosophical Transactions. Series a, Mathematical, Physical, and Engineering Sciences. 376. PMID 29431688 DOI: 10.1098/Rsta.2017.0146 |
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| 2018 |
Xie C, Guo H. Active vs. spectator modes in nonadiabatic photodissociation dynamics of the hydroxymethyl radical via the 22A(3s) Rydberg state. The Journal of Chemical Physics. 148: 044305. PMID 29390808 DOI: 10.1063/1.5017737 |
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| 2018 |
Xie C, Malbon CL, Yarkony DR, Xie D, Guo H. Signatures of a Conical Intersection in Adiabatic Dissociation on the Ground Electronic State. Journal of the American Chemical Society. PMID 29356531 DOI: 10.1021/Jacs.7B11489 |
0.637 |
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| 2018 |
Zhou L, Zhou X, Alducin M, Zhang L, Jiang B, Guo H. Ab initio molecular dynamics study of the Eley-Rideal reaction of H + Cl-Au(111) → HCl + Au(111): Impact of energy dissipation to surface phonons and electron-hole pairs. The Journal of Chemical Physics. 148: 014702. PMID 29306270 DOI: 10.1063/1.5016054 |
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| 2018 |
Liu Q, Zhou X, Zhou L, Zhang Y, Luo X, Guo H, Jiang B. Constructing High-Dimensional Neural Network Potential Energy Surfaces for Gas–Surface Scattering and Reactions The Journal of Physical Chemistry C. 122: 1761-1769. DOI: 10.1021/Acs.Jpcc.7B12064 |
0.466 |
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| 2018 |
Xie C, Liu X, Guo H. State-to-state quantum dynamics of the H + LiF → Li + HF reaction on an accurate ab initio potential energy surface Chemical Physics. 515: 427-433. DOI: 10.1016/J.Chemphys.2018.04.012 |
0.529 |
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| 2018 |
Liu X, Xie C, Guo H. A new potential energy surface and state-to-state quantum dynamics of the Li + HF → H + LiF reaction Chemical Physics. 509: 66-71. DOI: 10.1016/J.Chemphys.2018.01.023 |
0.526 |
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| 2017 |
Continetti RE, Guo H. Dynamics of transient species via anion photodetachment. Chemical Society Reviews. 46: 7650-7667. PMID 29188835 DOI: 10.1039/C7Cs00684E |
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| 2017 |
Zhao B, Sun Z, Guo H. State-to-state mode specificity in H + DOH(νOH = 1) → HD + OH(ν2 = 0) reaction: vibrational non-adiabaticity or local-mode excitation? Physical Chemistry Chemical Physics : Pccp. 20: 191-198. PMID 29184926 DOI: 10.1039/C7Cp07199J |
0.528 |
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| 2017 |
Xie C, Malbon C, Yarkony DR, Guo H. Nonadiabatic photodissociation dynamics of the hydroxymethyl radical via the 2(2)A(3s) Rydberg state: A four-dimensional quantum study. The Journal of Chemical Physics. 146: 224306. PMID 29166062 DOI: 10.1063/1.4985147 |
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| 2017 |
Ray AW, Ma J, Otto R, Li J, Guo H, Continetti RE. Effects of vibrational excitation on the F + H2O → HF + OH reaction: dissociative photodetachment of overtone-excited [F-H-OH](). Chemical Science. 8: 7821-7833. PMID 29163919 DOI: 10.1039/C7Sc03364H |
0.473 |
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| 2017 |
Zhou X, Nattino F, Zhang Y, Chen J, Kroes GJ, Guo H, Jiang B. Dissociative chemisorption of methane on Ni(111) using a chemically accurate fifteen dimensional potential energy surface. Physical Chemistry Chemical Physics : Pccp. PMID 29115358 DOI: 10.1039/C7Cp05993K |
0.417 |
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| 2017 |
DeVine JA, Weichman ML, Laws B, Chang J, Babin MC, Balerdi G, Xie C, Malbon CL, Lineberger WC, Yarkony DR, Field RW, Gibson ST, Ma J, Guo H, Neumark DM. Encoding of vinylidene isomerization in its anion photoelectron spectrum. Science (New York, N.Y.). 358: 336-339. PMID 29051373 DOI: 10.1126/Science.Aao1905 |
0.466 |
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| 2017 |
Thompson KM, Gao Y, Marshall P, Wang H, Zhou L, Li Y, Guo H. Experimental and theoretical studies of the reactions of ground-state sulfur atoms with hydrogen and deuterium. The Journal of Chemical Physics. 147: 134302. PMID 28987091 DOI: 10.1063/1.4991418 |
0.603 |
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| 2017 |
Weichman ML, DeVine JA, Babin MC, Li J, Guo L, Ma J, Guo H, Neumark DM. Feshbach resonances in the exit channel of the F + CH3OH → HF + CH3O reaction observed using transition-state spectroscopy. Nature Chemistry. 9: 950-955. PMID 28937670 DOI: 10.1038/Nchem.2804 |
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| 2017 |
Li J, Xie C, Guo H. Kinetics and dynamics of the C((3)P) + H2O reaction on a full-dimensional accurate triplet state potential energy surface. Physical Chemistry Chemical Physics : Pccp. PMID 28825759 DOI: 10.1039/C7Cp04578F |
0.499 |
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| 2017 |
Xie C, Malbon CL, Yarkony DR, Guo H. Dynamic mapping of conical intersection seams: A general method for incorporating the geometric phase in adiabatic dynamics in polyatomic systems. The Journal of Chemical Physics. 147: 044109. PMID 28764350 DOI: 10.1063/1.4990002 |
0.348 |
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| 2017 |
Ma YT, Ma X, Li A, Guo H, Yang L, Zhang J, Hase WL. Potential energy surface stationary points and dynamics of the F(-) + CH3I double inversion mechanism. Physical Chemistry Chemical Physics : Pccp. PMID 28726900 DOI: 10.1039/C7Cp02998E |
0.455 |
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| 2017 |
Maurer RJ, Jiang B, Guo H, Tully JC. Mode Specific Electronic Friction in Dissociative Chemisorption on Metal Surfaces: H_{2} on Ag(111). Physical Review Letters. 118: 256001. PMID 28696728 DOI: 10.1103/Physrevlett.118.256001 |
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| 2017 |
Zuo J, Xie C, Guo H, Xie D. Accurate Determination of Tunneling Affected Rate Coefficients: Theory Aeesessing Experiment. The Journal of Physical Chemistry Letters. PMID 28685568 DOI: 10.1021/Acs.Jpclett.7B01296 |
0.645 |
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| 2017 |
Song H, Li A, Yang M, Guo H. Competition between the H- and D-atom transfer channels in the H2O(+) + HD reaction: reduced-dimensional quantum and quasi-classical studies. Physical Chemistry Chemical Physics : Pccp. PMID 28650041 DOI: 10.1039/C7Cp02889J |
0.49 |
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| 2017 |
Zuo J, Li Y, Guo H, Xie D. Correction to "Rate Coefficients of the HCl + OH → Cl + H2O Reaction from Ring Polymer Molecular Dynamics". The Journal of Physical Chemistry. A. PMID 28636374 DOI: 10.1021/Acs.Jpca.7B05842 |
0.695 |
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| 2017 |
Xie C, Jiang B, Klos J, Kumar P, Alexander MH, Poirier B, Guo H. Final State Resolved Quantum Predissociation Dynamics of SO2(C(∽1)B2) Isotopologues via a Crossing with a Singlet Repulsive State. The Journal of Physical Chemistry. A. PMID 28613867 DOI: 10.1021/Acs.Jpca.7B04629 |
0.492 |
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| 2017 |
Shuman NS, Martinez O, Ard SG, Wiens JP, Keyes NR, Guo H, Viggiano AA. Surprising behaviors in the temperature dependent kinetics of diatomic interhalogens with anions and cations. The Journal of Chemical Physics. 146: 214307. PMID 28595394 DOI: 10.1063/1.4984303 |
0.364 |
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| 2017 |
Ard SG, Shuman NS, Martinez O, Keyes NR, Viggiano AA, Guo H, Troe J. Temperature and Pressure Dependences of the Reactions of Fe(+) with Methyl Halides CH3X (X = Cl, Br, I): Experiments and Kinetic Modeling Results. The Journal of Physical Chemistry. A. PMID 28488864 DOI: 10.1021/Acs.Jpca.7B02415 |
0.403 |
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| 2017 |
Hu X, Zhou Y, Jiang B, Guo H, Xie D. Dynamics of carbon monoxide dissociation on Co(112[combining macron]0). Physical Chemistry Chemical Physics : Pccp. PMID 28470284 DOI: 10.1039/C7Cp01697B |
0.663 |
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| 2017 |
Zhou L, Johnson R, Habteyes T, Guo H. Adsorption of methylene blue and its N-demethylated derivatives on the (111) face of coinage metals: The importance of dispersion interactions. The Journal of Chemical Physics. 146: 164701. PMID 28456202 DOI: 10.1063/1.4980167 |
0.537 |
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| 2017 |
Jiang B, Kumar P, Kłos J, Alexander MH, Poirier B, Guo H. First-principles C band absorption spectra of SO2 and its isotopologues. The Journal of Chemical Physics. 146: 154305. PMID 28433016 DOI: 10.1063/1.4980124 |
0.422 |
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| 2017 |
Xie C, Kendrick BK, Yarkony DR, Guo H. Constructive and Destructive Interferences in Nonadiabatic Tunneling via Conical Intersections. Journal of Chemical Theory and Computation. PMID 28362494 DOI: 10.1021/Acs.Jctc.7B00124 |
0.35 |
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| 2017 |
Zuo J, Zhao B, Guo H, Xie D. A global coupled cluster potential energy surface for HCl + OH ↔ Cl + H2O. Physical Chemistry Chemical Physics : Pccp. PMID 28327711 DOI: 10.1039/C7Cp00920H |
0.68 |
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| 2017 |
Kolb B, Marshall P, Zhao B, Jiang B, Guo H. Representing Global Reactive Potential Energy Surfaces Using Gaussian Processes. The Journal of Physical Chemistry. A. PMID 28287725 DOI: 10.1021/Acs.Jpca.7B01182 |
0.491 |
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| 2017 |
Bouhafs N, Lique F, Faure A, Bacmann A, Li J, Guo H. Rotational excitation of the interstellar NH2 radical by H2. The Journal of Chemical Physics. 146: 064309. PMID 28201883 DOI: 10.1063/1.4975324 |
0.452 |
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| 2017 |
Kolb B, Luo X, Zhou X, Jiang B, Guo H. High-dimensional Atomistic Neural Network Potentials for Molecule-Surface Interactions: HCl Scattering from Au(111). The Journal of Physical Chemistry Letters. PMID 28102689 DOI: 10.1021/Acs.Jpclett.6B02994 |
0.395 |
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| 2017 |
Kumar P, Jiang B, Guo H, Klos J, Alexander MH, Poirier B. Photoabsorption Assignments for the ˜C (1)B2 ← ˜X (1)A1 Vibronic Transitions of SO2, Using New Ab Initio Potential Energy and Transition Dipole Surfaces. The Journal of Physical Chemistry. A. PMID 28068096 DOI: 10.1021/Acs.Jpca.6B12958 |
0.42 |
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| 2017 |
Le Gal R, Xie C, Herbst E, Talbi D, Guo H, Muller S. The ortho-to-para ratio of H2Cl+: Quasi-classical trajectory calculations and new simulations in light of new observations Astronomy & Astrophysics. 608: A96. DOI: 10.1051/0004-6361/201731566 |
0.388 |
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| 2017 |
Thomas AK, Johnson R, Stein BW, Kirk ML, Guo H, Grey JK. Charge Transfer Doping Induced Conformational Ordering of a Non-Crystalline Conjugated Polymer The Journal of Physical Chemistry C. 121: 23817-23826. DOI: 10.1021/Acs.Jpcc.7B08773 |
0.557 |
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| 2017 |
Zhou X, Kolb B, Luo X, Guo H, Jiang B. Ab Initio Molecular Dynamics Study of Dissociative Chemisorption and Scattering of CO2 on Ni(100): Reactivity, Energy Transfer, Steering Dynamics, and Lattice Effects The Journal of Physical Chemistry C. 121: 5594-5602. DOI: 10.1021/Acs.Jpcc.6B12686 |
0.416 |
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| 2017 |
Xie C, Guo H. Photodissociation of phenol via nonadiabatic tunneling: Comparison of two ab initio based potential energy surfaces Chemical Physics Letters. 683: 222-227. DOI: 10.1016/J.Cplett.2017.02.026 |
0.468 |
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| 2017 |
Zhao B, Guo H. State-to-state quantum reactive scattering in four-atom systems Wiley Interdisciplinary Reviews: Computational Molecular Science. 7: e1301. DOI: 10.1002/Wcms.1301 |
0.51 |
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| 2016 |
Guo H, Liu K. Control of chemical reactivity by transition-state and beyond. Chemical Science. 7: 3992-4003. PMID 30155041 DOI: 10.1039/C6Sc01066K |
0.436 |
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| 2016 |
Malbon CL, Zhu X, Guo H, Yarkony DR. On the incorporation of the geometric phase in general single potential energy surface dynamics: A removable approximation to ab initio data. The Journal of Chemical Physics. 145: 234111. PMID 28010097 DOI: 10.1063/1.4971369 |
0.393 |
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| 2016 |
DeVine JA, Weichman ML, Zhou X, Ma J, Jiang B, Guo H, Neumark DM. Non-Adiabatic Effects on Excited States of Vinylidene Observed with Slow Photoelectron Velocity-Map Imaging. Journal of the American Chemical Society. PMID 27936652 DOI: 10.1021/Jacs.6B10233 |
0.404 |
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| 2016 |
Zhao B, Sun Z, Guo H. A reactant-coordinate-based approach to state-to-state differential cross sections for tetratomic reactions. The Journal of Chemical Physics. 145: 184106. PMID 27846704 DOI: 10.1063/1.4966966 |
0.505 |
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| 2016 |
Han H, Alday B, Shuman NS, Wiens JP, Troe J, Viggiano AA, Guo H. Calculations of the active mode and energetic barrier to electron attachment to CF3 and comparison with kinetic modeling of experimental results. Physical Chemistry Chemical Physics : Pccp. PMID 27808307 DOI: 10.1039/C6Cp05867A |
0.39 |
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| 2016 |
Zhao B, Sun Z, Guo H. State-to-state differential cross sections for D2 + OH → D + DOH reaction: Influence of vibrational excitation of OH reactant. The Journal of Chemical Physics. 145: 134308. PMID 27782444 DOI: 10.1063/1.4964322 |
0.531 |
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| 2016 |
Song H, Yang M, Guo H. Communication: Equivalence between symmetric and antisymmetric stretching modes of NH3 in promoting H + NH3 → H2 + NH2 reaction. The Journal of Chemical Physics. 145: 131101. PMID 27782421 DOI: 10.1063/1.4963286 |
0.441 |
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| 2016 |
Li J, Dawes R, Guo H. An accurate multi-channel multi-reference full-dimensional global potential energy surface for the lowest triplet state of H2O2. Physical Chemistry Chemical Physics : Pccp. PMID 27757464 DOI: 10.1039/C6Cp06232F |
0.465 |
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| 2016 |
Guo H, Yarkony DR. Accurate nonadiabatic dynamics. Physical Chemistry Chemical Physics : Pccp. 18: 26335-26352. PMID 27711605 DOI: 10.1039/C6Cp05553B |
0.397 |
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| 2016 |
Suleimanov YV, Aoiz FJ, Guo H. Chemical Reaction Rates from Ring Polymer Molecular Dynamics: Theory and Practical Applications. The Journal of Physical Chemistry. A. PMID 27627634 DOI: 10.1021/Acs.Jpca.6B07140 |
0.366 |
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| 2016 |
Song H, Li A, Guo H, Xu Y, Xiong B, Chang YC, Ng CY. Comparison of experimental and theoretical quantum-state-selected integral cross-sections for the H2O(+) + H2 (D2) reactions in the collision energy range of 0.04-10.00 eV. Physical Chemistry Chemical Physics : Pccp. 18: 22509-22515. PMID 27508462 DOI: 10.1039/C6Cp04598G |
0.48 |
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| 2016 |
Wang Y, Song H, Szabo I, Czako G, Guo H, Yang M. Mode Specific SN2 Reaction Dynamics. The Journal of Physical Chemistry Letters. PMID 27505286 DOI: 10.1021/Acs.Jpclett.6B01457 |
0.483 |
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| 2016 |
Xie C, Jiang B, Yang M, Guo H. State-to-state Mode Specificity in F + CHD3 → HF/DF + CD3/CHD2 Reaction. The Journal of Physical Chemistry. A. PMID 27486789 DOI: 10.1021/Acs.Jpca.6B06450 |
0.414 |
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| 2016 |
Luo X, Jiang B, Juaristi JI, Alducin M, Guo H. Electron-hole pair effects in methane dissociative chemisorption on Ni(111). The Journal of Chemical Physics. 145: 044704. PMID 27475383 DOI: 10.1063/1.4959288 |
0.43 |
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| 2016 |
Jiang B, Guo H. Towards an accurate specific reaction parameter density functional for water dissociation on Ni(111): RPBE versus PW91. Physical Chemistry Chemical Physics : Pccp. PMID 27436348 DOI: 10.1039/C6Cp03707K |
0.434 |
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| 2016 |
Kolb B, Guo H. Communication: Energy transfer and reaction dynamics for DCl scattering on Au(111): An ab initio molecular dynamics study. The Journal of Chemical Physics. 145: 011102. PMID 27394092 DOI: 10.1063/1.4956453 |
0.421 |
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| 2016 |
Hu Q, Song H, Johnson CJ, Li J, Guo H, Continetti RE. Imaging a multidimensional multichannel potential energy surface: Photodetachment of H(-)(NH3) and NH4 (.). The Journal of Chemical Physics. 144: 244311. PMID 27369519 DOI: 10.1063/1.4954187 |
0.489 |
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| 2016 |
Ndengué SA, Dawes R, Guo H. A new set of potential energy surfaces for HCO: Influence of Renner-Teller coupling on the bound and resonance vibrational states. The Journal of Chemical Physics. 144: 244301. PMID 27369509 DOI: 10.1063/1.4954374 |
0.46 |
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| 2016 |
Kolb B, Zhao B, Li J, Jiang B, Guo H. Permutation invariant potential energy surfaces for polyatomic reactions using atomistic neural networks. The Journal of Chemical Physics. 144: 224103. PMID 27305992 DOI: 10.1063/1.4953560 |
0.473 |
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| 2016 |
Xie C, Ma J, Zhu X, Yarkony DR, Xie D, Guo H. Nonadiabatic Tunneling in Photodissociation of Phenol. Journal of the American Chemical Society. PMID 27280865 DOI: 10.1021/Jacs.6B03288 |
0.673 |
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| 2016 |
Zhao B, Sun Z, Guo H. State-to-state mode selectivity in the HD + OH reaction: Perspectives from two product channels. The Journal of Chemical Physics. 144: 214303. PMID 27276953 DOI: 10.1063/1.4952764 |
0.523 |
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| 2016 |
Kłos J, Alexander MH, Kumar P, Poirier B, Jiang B, Guo H. Publisher's Note: "New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X̃(1)A1 and excited C̃(1)B2(2(1)A(')) states of SO2" [J. Chem. Phys. 144, 174301 (2016)]. The Journal of Chemical Physics. 144: 209901. PMID 27250334 DOI: 10.1063/1.4951737 |
0.427 |
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| 2016 |
Ard SG, Johnson RS, Martinez O, Shuman NS, Guo H, Troe J, Viggiano AA. Analysis of the Pressure and Temperature Dependence of the Complex-Forming Bimolecular Reaction CH3OCH3 + Fe(.) The Journal of Physical Chemistry. A. PMID 27228310 DOI: 10.1021/Acs.Jpca.6B01125 |
0.601 |
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| 2016 |
Kłos J, Alexander MH, Kumar P, Poirier B, Jiang B, Guo H. New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X̃(1)A1 and excited C̃(1)B2(2(1)A(')) states of SO2. The Journal of Chemical Physics. 144: 174301. PMID 27155634 DOI: 10.1063/1.4947526 |
0.457 |
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| 2016 |
Qi J, Song H, Yang M, Palma J, Manthe U, Guo H. Communication: Mode specific quantum dynamics of the F + CHD3 → HF + CD3 reaction. The Journal of Chemical Physics. 144: 171101. PMID 27155615 DOI: 10.1063/1.4948547 |
0.672 |
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| 2016 |
Zuo J, Li Y, Guo H, Xie D. Rate Coefficients of the HCl + OH → Cl + H2O Reaction From Ring Polymer Molecular Dynamics. The Journal of Physical Chemistry. A. PMID 27149243 DOI: 10.1021/Acs.Jpca.6B03488 |
0.74 |
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| 2016 |
Jiang B, Song H, Yang M, Guo H. Quantum dynamics of water dissociative chemisorption on rigid Ni(111): An approximate nine-dimensional treatment. The Journal of Chemical Physics. 144: 164706. PMID 27131562 DOI: 10.1063/1.4947492 |
0.443 |
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| 2016 |
Song H, Lu Y, Li J, Yang M, Guo H. Mode specificity in the OH + CHD3 reaction: Reduced-dimensional quantum and quasi-classical studies on an ab initio based full-dimensional potential energy surface. The Journal of Chemical Physics. 144: 164303. PMID 27131546 DOI: 10.1063/1.4947252 |
0.493 |
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| 2016 |
Moradi CP, Xie C, Kaufmann M, Guo H, Douberly GE. Two-center three-electron bonding in ClNH3 revealed via helium droplet infrared laser Stark spectroscopy: Entrance channel complex along the Cl + NH3 → ClNH2 + H reaction. The Journal of Chemical Physics. 144: 164301. PMID 27131544 DOI: 10.1063/1.4947089 |
0.363 |
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| 2016 |
Lahankar SA, Zhang J, Minton TK, Guo H, Lendvay G. Dynamics of the O-Atom Exchange Reaction (16)O((3)P) + (18)O(18)O((3)Σg(-)) → (16)O(18)O((3)Σg(-)) + (18)O((3)P) at Hyperthermal Energies. The Journal of Physical Chemistry. A. PMID 27043455 DOI: 10.1021/Acs.Jpca.6B01855 |
0.641 |
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| 2016 |
Yu HG, Han H, Guo H. Full-Dimensional Quantum Calculations of Vibrational Levels of NH4(+) and Isotopomers on An Accurate Ab Initio Potential Energy Surface. The Journal of Physical Chemistry. A. PMID 27023376 DOI: 10.1021/Acs.Jpca.6B01946 |
0.448 |
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| 2016 |
Zhang DH, Guo H. Recent Advances in Quantum Dynamics of Bimolecular Reactions. Annual Review of Physical Chemistry. PMID 26980305 DOI: 10.1146/Annurev-Physchem-040215-112016 |
0.542 |
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| 2016 |
Jiang B, Guo H. Communication: Enhanced dissociative chemisorption of CO2 via vibrational excitation. The Journal of Chemical Physics. 144: 091101. PMID 26957149 DOI: 10.1063/1.4943002 |
0.458 |
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| 2016 |
Mauguiere FA, Collins P, Stamatiadis S, Li A, Ezra GS, Farantos SC, Kramer ZC, Carpenter BK, Wiggins S, Guo H. Towards Understanding the Roaming Mechanism in H + MgH → Mg + HH Reaction. The Journal of Physical Chemistry. A. PMID 26918375 DOI: 10.1021/Acs.Jpca.6B00682 |
0.688 |
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| 2016 |
Ndengué S, Dawes R, Wang XG, Carrington T, Sun Z, Guo H. Calculated vibrational states of ozone up to dissociation. The Journal of Chemical Physics. 144: 074302. PMID 26896981 DOI: 10.1063/1.4941559 |
0.455 |
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| 2016 |
Zhao B, Sun Z, Guo H. A reactant-coordinate-based wave packet method for full-dimensional state-to-state quantum dynamics of tetra-atomic reactions: Application to both the abstraction and exchange channels in the H + H2O reaction. The Journal of Chemical Physics. 144: 064104. PMID 26874479 DOI: 10.1063/1.4941671 |
0.5 |
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| 2016 |
Jiang B, Alducin M, Guo H. Electron-Hole Pair Effects in Polyatomic Dissociative Chemisorption: Water on Ni(111). The Journal of Physical Chemistry Letters. PMID 26732612 DOI: 10.1021/Acs.Jpclett.5B02737 |
0.376 |
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| 2016 |
Song H, Li A, Guo H. Rotational and Isotopic Effects in the H2 + OH(+) → H + H2O+ Reaction. The Journal of Physical Chemistry. A. PMID 26731677 DOI: 10.1021/Acs.Jpca.5B11574 |
0.492 |
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| 2016 |
Jiang B, Li J, Guo H. Potential energy surfaces from high fidelity fitting ofab initiopoints: the permutation invariant polynomial - neural network approach International Reviews in Physical Chemistry. 35: 479-506. DOI: 10.1080/0144235X.2016.1200347 |
0.327 |
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| 2016 |
Song H, Yang M, Guo H. Communication: Equivalence between symmetric and antisymmetric stretching modes of NH3 in promoting H + NH3 → H2 + NH2 reaction Journal of Chemical Physics. 145. DOI: 10.1063/1.4963286 |
0.33 |
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| 2016 |
Le Gal R, Herbst E, Xie C, Li A, Guo H. The ortho-to-para ratio of interstellar NH2: quasi-classical trajectory calculations and new simulations Astronomy & Astrophysics. 596: A35. DOI: 10.1051/0004-6361/201629107 |
0.329 |
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| 2016 |
Jiang B, Guo H. Origin of Steric Effects in Methane Dissociative Chemisorption Journal of Physical Chemistry C. 120: 8220-8226. DOI: 10.1021/Acs.Jpcc.6B01951 |
0.451 |
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| 2015 |
Guo H, Suits AG. Fifty Years of Chemical Reaction Dynamics. The Journal of Physical Chemistry. A. 119: 11949-50. PMID 26674545 DOI: 10.1021/Acs.Jpca.5B08530 |
0.331 |
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| 2015 |
Li J, Guo H. Communication: An accurate full 15 dimensional permutationally invariant potential energy surface for the OH + CH4 → H2O + CH3 reaction. The Journal of Chemical Physics. 143: 221103. PMID 26671351 DOI: 10.1063/1.4937570 |
0.423 |
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| 2015 |
Li J, Guo H. Permutationally invariant fitting of intermolecular potential energy surfaces: A case study of the Ne-C2H2 system. The Journal of Chemical Physics. 143: 214304. PMID 26646879 DOI: 10.1063/1.4936660 |
0.42 |
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| 2015 |
Zhao B, Sun Z, Guo H. State-to-state Mode Specificity: Energy Sequestration and Flow Gated by Transition State. Journal of the American Chemical Society. PMID 26613942 DOI: 10.1021/Jacs.5B11404 |
0.525 |
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| 2015 |
Ma J, Guo H. Reactive and Non-reactive Feshbach Resonances in Photodetachment of FH2O. The Journal of Physical Chemistry Letters. PMID 26580571 DOI: 10.1021/acs.jpclett.5b02366 |
0.348 |
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| 2015 |
Hickson KM, Loison JC, Guo H, Suleimanov YV. Ring-Polymer Molecular Dynamics for the Prediction of Low-Temperature Rates: An Investigation of the C((1)D) + H2 Reaction. The Journal of Physical Chemistry Letters. 6: 4194-9. PMID 26538033 DOI: 10.1021/Acs.Jpclett.5B02060 |
0.429 |
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| 2015 |
Jiang B, Guo H. Quantum and classical dynamics of water dissociation on Ni(111): A test of the site-averaging model in dissociative chemisorption of polyatomic molecules. The Journal of Chemical Physics. 143: 164705. PMID 26520541 DOI: 10.1063/1.4934357 |
0.435 |
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| 2015 |
Wang Y, Li J, Chen L, Lu Y, Yang M, Guo H. Mode specific dynamics of the H2 + CH3 → H + CH4 reaction studied using quasi-classical trajectory and eight-dimensional quantum dynamics methods. The Journal of Chemical Physics. 143: 154307. PMID 26493907 DOI: 10.1063/1.4933240 |
0.445 |
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| 2015 |
Arseneau DJ, Fleming DG, Li Y, Li J, Suleimanov YV, Guo H. Rate Coefficient for the (4)Heµ + CH4 Reaction at 500 K: Comparison Between Theory and Experiment. The Journal of Physical Chemistry. B. PMID 26484648 DOI: 10.1021/Acs.Jpcb.5B08368 |
0.64 |
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| 2015 |
Li J, Guo H. Full-dimensional Potential Energy Surface and Ro-vibrational Levels of Dioxirane. The Journal of Physical Chemistry. A. PMID 26422048 DOI: 10.1021/Acs.Jpca.5B08491 |
0.418 |
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| 2015 |
Hundt PM, Ueta H, van Reijzen ME, Jiang B, Guo H, Beck RD. Bond-Selective and Mode-Specific Dissociation of CH3D and CH2D2 on Pt(111). The Journal of Physical Chemistry. A. PMID 26414099 DOI: 10.1021/Acs.Jpca.5B07949 |
0.381 |
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| 2015 |
Hu X, Jiang B, Xie D, Guo H. Site-specific dissociation dynamics of H2/D2 on Ag(111) and Co(0001) and the validity of the site-averaging model. The Journal of Chemical Physics. 143: 114706. PMID 26395727 DOI: 10.1063/1.4931040 |
0.62 |
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| 2015 |
Martinez O, Ard SG, Li A, Shuman NS, Guo H, Viggiano AA. Temperature-dependent kinetic measurements and quasi-classical trajectory studies for the OH(+) + H2/D2 → H2O(+)/HDO(+) + H/D reactions. The Journal of Chemical Physics. 143: 114310. PMID 26395708 DOI: 10.1063/1.4931109 |
0.413 |
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| 2015 |
Yu HG, Ndengue S, Li J, Dawes R, Guo H. Vibrational energy levels of the simplest Criegee intermediate (CH2OO) from full-dimensional Lanczos, MCTDH, and MULTIMODE calculations. The Journal of Chemical Physics. 143: 084311. PMID 26328847 DOI: 10.1063/1.4929707 |
0.438 |
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| 2015 |
Jiang B, Hu X, Lin S, Xie D, Guo H. Six-dimensional quantum dynamics of dissociative chemisorption of H2 on Co(0001) on an accurate global potential energy surface. Physical Chemistry Chemical Physics : Pccp. PMID 26286861 DOI: 10.1039/C5Cp03324A |
0.658 |
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| 2015 |
Zhao B, Guo H. Modulations of Transition-State Control of State-to-State Dynamics in the F + H2O → HF + OH Reaction. The Journal of Physical Chemistry Letters. 6: 676-80. PMID 26262484 DOI: 10.1021/Acs.Jpclett.5B00071 |
0.542 |
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| 2015 |
Song H, Lee SY, Lu Y, Guo H. Full-dimensional Quantum Dynamical Studies of the Cl + HOD → HCl/DCl + OD/OH Reaction: Bond Selectivity and Isotopic Branching Ratio. The Journal of Physical Chemistry. A. PMID 26244377 DOI: 10.1021/Acs.Jpca.5B06230 |
0.796 |
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| 2015 |
Zhao B, Sun Z, Guo H. Communication: State-to-state dynamics of the Cl + H2O → HCl + OH reaction: Energy flow into reaction coordinate and transition-state control of product energy disposal. The Journal of Chemical Physics. 142: 241101. PMID 26133401 DOI: 10.1063/1.4922650 |
0.546 |
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| 2015 |
Ard SG, Johnson RS, Melko JJ, Martinez O, Shuman NS, Ushakov VG, Guo H, Troe J, Viggiano AA. Spin-inversion and spin-selection in the reactions FeO(+) + H2 and Fe(+) + N2O. Physical Chemistry Chemical Physics : Pccp. PMID 26129708 DOI: 10.1039/C5Cp01418B |
0.602 |
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| 2015 |
Ushakov VG, Troe J, Johnson RS, Guo H, Ard SG, Melko JJ, Shuman NS, Viggiano AA. Statistical modeling of the reactions Fe(+) + N2O → FeO(+) + N2 and FeO(+) + CO → Fe(+) + CO2. Physical Chemistry Chemical Physics : Pccp. PMID 26126995 DOI: 10.1039/C5Cp01416F |
0.587 |
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| 2015 |
Guo L, Han H, Ma JY, Guo H. Quantum Dynamics of Vinylidene Photodetachment on an Accurate Global Acetylene-Vinylidene Potential Energy Surface. The Journal of Physical Chemistry. A. PMID 26107090 DOI: 10.1021/Acs.Jpca.5B05061 |
0.486 |
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| 2015 |
Jiang B, Yang M, Xie D, Guo H. Quantum dynamics of polyatomic dissociative chemisorption on transition metal surfaces: mode specificity and bond selectivity. Chemical Society Reviews. PMID 26100606 DOI: 10.1039/C5Cs00360A |
0.657 |
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| 2015 |
Huang YH, Li J, Guo H, Lee YP. Infrared spectrum of the simplest Criegee intermediate CH2OO at resolution 0.25 cm(-1) and new assignments of bands 2ν9 and ν5. The Journal of Chemical Physics. 142: 214301. PMID 26049490 DOI: 10.1063/1.4921731 |
0.367 |
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| 2015 |
Li J, Chen J, Zhao Z, Xie D, Zhang DH, Guo H. A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH4 system. The Journal of Chemical Physics. 142: 204302. PMID 26026442 DOI: 10.1063/1.4921412 |
0.703 |
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| 2015 |
Song H, Guo H. Vibrational and Rotational Mode Specificity in The Cl + H2O → HCl + OH Reaction: A Quantum Dynamical Study. The Journal of Physical Chemistry. A. 119: 6188-94. PMID 25988486 DOI: 10.1021/Acs.Jpca.5B03740 |
0.466 |
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| 2015 |
Sun Z, Yu D, Xie W, Hou J, Dawes R, Guo H. Kinetic isotope effect of the (16)O + (36)O2 and (18)O + (32)O2 isotope exchange reactions: Dominant role of reactive resonances revealed by an accurate time-dependent quantum wavepacket study. The Journal of Chemical Physics. 142: 174312. PMID 25956105 DOI: 10.1063/1.4919861 |
0.412 |
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| 2015 |
Song H, Guo H. Mode specificity in bond selective reactions F + HOD → HF + OD and DF + OH. The Journal of Chemical Physics. 142: 174309. PMID 25956102 DOI: 10.1063/1.4919666 |
0.43 |
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| 2015 |
Jiang B, Guo H. Dynamics of water dissociative chemisorption on Ni(111): effects of impact sites and incident angles. Physical Review Letters. 114: 166101. PMID 25955057 DOI: 10.1103/Physrevlett.114.166101 |
0.39 |
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| 2015 |
Martinez O, Sanchez JC, Ard SG, Li A, Melko JJ, Shuman NS, Guo H, Viggiano AA. Selected-ion flow tube temperature-dependent measurements for the reactions of O₂⁺ with N atoms and N₂⁺ with O atoms. The Journal of Chemical Physics. 142: 154305. PMID 25903888 DOI: 10.1063/1.4916913 |
0.334 |
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| 2015 |
Li J, Jiang B, Song H, Ma J, Zhao B, Dawes R, Guo H. From ab Initio Potential Energy Surfaces to State-Resolved Reactivities: X + H2O ↔ HX + OH [X = F, Cl, and O((3)P)] Reactions. The Journal of Physical Chemistry. A. 119: 4667-87. PMID 25886142 DOI: 10.1021/Acs.Jpca.5B02510 |
0.559 |
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| 2015 |
Zhou L, Xie D, Guo H. Signatures of non-adiabatic dynamics in the fine-structure state distributions of the OH(X̃/Ã) products in the B-band photodissociation of H2O. The Journal of Chemical Physics. 142: 124317. PMID 25833589 DOI: 10.1063/1.4915536 |
0.675 |
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| 2015 |
Han H, Song H, Li J, Guo H. Near spectroscopically accurate ab initio potential energy surface for NH4(+) and variational calculations of low-lying vibrational levels. The Journal of Physical Chemistry. A. 119: 3400-6. PMID 25781209 DOI: 10.1021/Acs.Jpca.5B01835 |
0.442 |
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| 2015 |
Xie C, Zhu X, Ma J, Yarkony DR, Xie D, Guo H. Communication: On the competition between adiabatic and nonadiabatic dynamics in vibrationally mediated ammonia photodissociation in its A band. The Journal of Chemical Physics. 142: 091101. PMID 25747050 DOI: 10.1063/1.4913633 |
0.659 |
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| 2015 |
Li J, Corchado JC, Espinosa-Garcia J, Guo H. Final state-resolved mode specificity in HX + OH → X + H2O (X = F and Cl) reactions: a quasi-classical trajectory study. The Journal of Chemical Physics. 142: 084314. PMID 25725738 DOI: 10.1063/1.4913522 |
0.466 |
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| 2015 |
Xie W, Liu L, Sun Z, Guo H, Dawes R. State-to-state reaction dynamics of (18)O+(32)O2 studied by a time-dependent quantum wavepacket method. The Journal of Chemical Physics. 142: 064308. PMID 25681907 DOI: 10.1063/1.4907229 |
0.493 |
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| 2015 |
Zou L, Li J, Wang H, Ma J, Guo H. State-Resolved Quantum Dynamics of Photodetachment of HCO2(-)/DCO2(-) on an Accurate Global Potential Energy Surface. The Journal of Physical Chemistry. A. 119: 7316-24. PMID 25607218 DOI: 10.1021/Jp512557K |
0.463 |
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| 2015 |
Song H, Guo H. Mode specificity in the HCl + OH → Cl + H2O reaction: Polanyi's rules vs sudden vector projection model. The Journal of Physical Chemistry. A. 119: 826-31. PMID 25580616 DOI: 10.1021/Jp512021M |
0.478 |
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| 2015 |
Li J, Song H, Guo H. Insights into the bond-selective reaction of Cl + HOD(n(OH)) → HCl + OD. Physical Chemistry Chemical Physics : Pccp. 17: 4259-67. PMID 25571941 DOI: 10.1039/C4Cp05165C |
0.486 |
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| 2015 |
Dawes R, Jiang B, Guo H. UV absorption spectrum and photodissociation channels of the simplest Criegee intermediate (CH2OO). Journal of the American Chemical Society. 137: 50-3. PMID 25470300 DOI: 10.1021/Ja510736D |
0.401 |
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| 2015 |
Song H, Li J, Guo H. Mode specificity in the HF + OH → F + H2O reaction. The Journal of Chemical Physics. 141: 164316. PMID 25362308 DOI: 10.1063/1.4900445 |
0.474 |
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| 2015 |
Li A, Guo H. A nine-dimensional ab initio global potential energy surface for the H₂O⁺ + H₂ → H₃O⁺ + H reaction. The Journal of Chemical Physics. 140: 224313. PMID 24929394 DOI: 10.1063/1.4881943 |
0.459 |
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| 2015 |
Wang J, Li J, Ma J, Guo H. Full-dimensional characterization of photoelectron spectra of HOCO(-) and DOCO(-) and tunneling facilitated decay of HOCO prepared by anion photodetachment. The Journal of Chemical Physics. 140: 184314. PMID 24832277 DOI: 10.1063/1.4874975 |
0.461 |
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| 2015 |
Whitehill AR, Jiang B, Guo H, Ono S. SO2 photolysis as a source for sulfur mass-independent isotope signatures in stratospehric aerosols Atmospheric Chemistry and Physics. 15: 1843-1864. DOI: 10.5194/Acp-15-1843-2015 |
0.348 |
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| 2015 |
Guo H. Dynamical resonances in chemical reactions National Science Review. 2: 252-253. DOI: 10.1093/Nsr/Nwv036 |
0.464 |
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| 2015 |
Majumder M, Hegger SE, Dawes R, Manzhos S, Wang XG, Tucker C, Li J, Guo H. Explicitly correlated MRCI-F12 potential energy surfaces for methane fit with several permutation invariant schemes and full-dimensional vibrational calculations Molecular Physics. 113: 1823-1833. DOI: 10.1080/00268976.2015.1015642 |
0.371 |
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| 2015 |
Lin S, Huang J, Gao X, Ye X, Guo H. Theoretical Insight into the Reaction Mechanism of Ethanol Steam Reforming on Co(0001) The Journal of Physical Chemistry C. 119: 2680-2691. DOI: 10.1021/Jp512000K |
0.386 |
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| 2015 |
Li A, Guo H. Prediction of mode specificity in 1,3-dipolar cycloadditions using the Sudden Vector Projection model Chemical Physics Letters. 624: 102-106. DOI: 10.1016/J.Cplett.2015.02.027 |
0.352 |
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| 2015 |
Nakajima M, Yue Q, Li J, Guo H, Endo Y. An experimental and theoretical study on rotational constants of vibrationally excited CH2OO Chemical Physics Letters. 621: 129-133. DOI: 10.1016/J.Cplett.2014.12.039 |
0.405 |
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| 2014 |
Li J, Carter S, Bowman JM, Dawes R, Xie D, Guo H. High-Level, First-Principles, Full-Dimensional Quantum Calculation of the Ro-vibrational Spectrum of the Simplest Criegee Intermediate (CH2OO). The Journal of Physical Chemistry Letters. 5: 2364-9. PMID 26279560 DOI: 10.1021/Jz501059M |
0.684 |
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| 2014 |
Xie C, Ma J, Zhu X, Zhang DH, Yarkony DR, Xie D, Guo H. Full-Dimensional Quantum State-to-State Nonadiabatic Dynamics for Photodissociation of Ammonia in its A-Band. The Journal of Physical Chemistry Letters. 5: 1055-60. PMID 26274448 DOI: 10.1021/Jz500227D |
0.684 |
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| 2014 |
Li Y, Suleimanov YV, Guo H. Ring-Polymer Molecular Dynamics Rate Coefficient Calculations for Insertion Reactions: X + H2 → HX + H (X = N, O). The Journal of Physical Chemistry Letters. 5: 700-5. PMID 26270840 DOI: 10.1021/Jz500062Q |
0.661 |
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| 2014 |
Gao J, Thomas AK, Johnson R, Guo H, Grey JK. Spatially Resolving Ordered and Disordered Conformers and Photocurrent Generation in Intercalated Conjugated Polymer/Fullerene Blend Solar Cells. Chemistry of Materials : a Publication of the American Chemical Society. 26: 4395-4404. PMID 25678742 DOI: 10.1021/Cm501252Y |
0.535 |
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| 2014 |
Li J, Chen J, Zhang DH, Guo H. Quantum and quasi-classical dynamics of the OH + CO → H + CO2 reaction on a new permutationally invariant neural network potential energy surface. The Journal of Chemical Physics. 140: 044327. PMID 25669543 DOI: 10.1063/1.4863138 |
0.542 |
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| 2014 |
Jiang B, Li J, Guo H. Effects of reactant rotational excitation on reactivity: perspectives from the sudden limit. The Journal of Chemical Physics. 140: 034112. PMID 25669368 DOI: 10.1063/1.4861668 |
0.47 |
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| 2014 |
Han H, Li A, Guo H. Toward spectroscopically accurate global ab initio potential energy surface for the acetylene-vinylidene isomerization. The Journal of Chemical Physics. 141: 244312. PMID 25554156 DOI: 10.1063/1.4904859 |
0.496 |
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| 2014 |
Song H, Guo H. Effects of reactant rotational excitations on H2 + NH2 → H + NH3 reactivity. The Journal of Chemical Physics. 141: 244311. PMID 25554155 DOI: 10.1063/1.4904483 |
0.502 |
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| 2014 |
Suleimanov YV, Kong WJ, Guo H, Green WH. Ring-polymer molecular dynamics: rate coefficient calculations for energetically symmetric (near thermoneutral) insertion reactions (X + H2) → HX + H(X = C(1D), S(1D)). The Journal of Chemical Physics. 141: 244103. PMID 25554129 DOI: 10.1063/1.4904080 |
0.395 |
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| 2014 |
Ard SG, Li A, Martinez O, Shuman NS, Viggiano AA, Guo H. Experimental and theoretical kinetics for the H2O+ + H2/D2 → H3O+/H2DO+ + H/D reactions: observation of the rotational effect in the temperature dependence. The Journal of Physical Chemistry. A. 118: 11485-9. PMID 25398042 DOI: 10.1021/Jp510399V |
0.424 |
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| 2014 |
Guo H, Jiang B. The sudden vector projection model for reactivity: mode specificity and bond selectivity made simple. Accounts of Chemical Research. 47: 3679-85. PMID 25393632 DOI: 10.1021/Ar500350F |
0.42 |
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| 2014 |
Li A, Guo H. A full-dimensional global potential energy surface of H3O+(ã(3)A) for the OH+(X̃(3)Σ(-)) + H2(X̃(1)Σ(g)(+)) → H(2S) + H2O+(X̃(2)B1) reaction. The Journal of Physical Chemistry. A. 118: 11168-76. PMID 25343584 DOI: 10.1021/jp5100507 |
0.329 |
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| 2014 |
Zhao B, Sun Z, Guo H. Calculation of the state-to-state S-matrix for tetra-atomic reactions with transition-state wave packets: H₂/D₂ + OH → H/D + H₂O/HOD. The Journal of Chemical Physics. 141: 154112. PMID 25338886 DOI: 10.1063/1.4898100 |
0.517 |
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| 2014 |
Jiang B, Guo H. Six-dimensional quantum dynamics for dissociative chemisorption of H2 and D2 on Ag(111) on a permutation invariant potential energy surface. Physical Chemistry Chemical Physics : Pccp. 16: 24704-15. PMID 25315820 DOI: 10.1039/C4Cp03761H |
0.475 |
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| 2014 |
Peterson EJ, DeLaRiva AT, Lin S, Johnson RS, Guo H, Miller JT, Hun Kwak J, Peden CH, Kiefer B, Allard LF, Ribeiro FH, Datye AK. Low-temperature carbon monoxide oxidation catalysed by regenerable atomically dispersed palladium on alumina. Nature Communications. 5: 4885. PMID 25222116 DOI: 10.1038/Ncomms5885 |
0.53 |
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| 2014 |
Li Y, Sun Z, Jiang B, Xie D, Dawes R, Guo H. Communication: Rigorous quantum dynamics of O + O2 exchange reactions on an ab initio potential energy surface substantiate the negative temperature dependence of rate coefficients. The Journal of Chemical Physics. 141: 081102. PMID 25172996 DOI: 10.1063/1.4894069 |
0.65 |
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| 2014 |
Liu R, Wang F, Jiang B, Czakó G, Yang M, Liu K, Guo H. Rotational mode specificity in the Cl + CHD3 → HCl + CD3 reaction. The Journal of Chemical Physics. 141: 074310. PMID 25149789 DOI: 10.1063/1.4892598 |
0.439 |
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| 2014 |
Van Wyngarden AL, Mar KA, Quach J, Nguyen AP, Wiegel AA, Lin SY, Lendvay G, Guo H, Lin JJ, Lee YT, Boering KA. The non-statistical dynamics of the ¹⁸O + ³²O₂ isotope exchange reaction at two energies. The Journal of Chemical Physics. 141: 064311. PMID 25134575 DOI: 10.1063/1.4892346 |
0.709 |
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| 2014 |
Wagner AF, Dawes R, Continetti RE, Guo H. Theoretical/experimental comparison of deep tunneling decay of quasi-bound H(D)OCO to H(D) + CO₂. The Journal of Chemical Physics. 141: 054304. PMID 25106584 DOI: 10.1063/1.4891675 |
0.426 |
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| 2014 |
Ard SG, Melko JJ, Martinez O, Ushakov VG, Li A, Johnson RS, Shuman NS, Guo H, Troe J, Viggiano AA. Further insight into the reaction FeO(+) + H2 → Fe(+) + H2O: temperature dependent kinetics, isotope effects, and statistical modeling. The Journal of Physical Chemistry. A. 118: 6789-97. PMID 25077435 DOI: 10.1021/Jp5055815 |
0.595 |
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| 2014 |
Jiang B, Guo H. Permutation invariant polynomial neural network approach to fitting potential energy surfaces. III. Molecule-surface interactions. Journal of Chemical Physics. 141: 34109. PMID 25053303 DOI: 10.1063/1.4887363 |
0.356 |
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| 2014 |
Ma J, Xie C, Zhu X, Yarkony DR, Xie D, Guo H. Full-dimensional quantum dynamics of vibrationally mediated photodissociation of NH3 and ND3 on coupled ab initio potential energy surfaces: absorption spectra and NH2(Ã(2)A1)/NH2(X̃(2)B1) branching ratios. The Journal of Physical Chemistry. A. 118: 11926-34. PMID 25036988 DOI: 10.1021/Jp5057122 |
0.662 |
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| 2014 |
Song H, Li J, Yang M, Lu Y, Guo H. Nine-dimensional quantum dynamics study of the H₂ + NH₂ → H + NH₃ reaction: a rigorous test of the sudden vector projection model. Physical Chemistry Chemical Physics : Pccp. 16: 17770-6. PMID 25030197 DOI: 10.1039/C4Cp02227K |
0.479 |
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| 2014 |
Zhao B, Sun Z, Guo H. Calculation of state-to-state differential and integral cross sections for atom-diatom reactions with transition-state wave packets. The Journal of Chemical Physics. 140: 234110. PMID 24952526 DOI: 10.1063/1.4883615 |
0.491 |
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| 2014 |
Loison JC, Hu X, Han S, Hickson KM, Guo H, Xie D. An experimental and theoretical investigation of the N(⁴S) + C₂(¹Σg⁺) reaction at low temperature. Physical Chemistry Chemical Physics : Pccp. 16: 14212-9. PMID 24912625 DOI: 10.1039/C4Cp01801J |
0.804 |
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| 2014 |
Hundt PM, Jiang B, van Reijzen ME, Guo H, Beck RD. Vibrationally promoted dissociation of water on Ni(111). Science (New York, N.Y.). 344: 504-7. PMID 24786076 DOI: 10.1126/Science.1251277 |
0.493 |
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| 2014 |
Li J, Guo H. Mode specificity and product energy disposal in unimolecular reactions: insights from the sudden vector projection model. The Journal of Physical Chemistry. A. 118: 2419-25. PMID 24617859 DOI: 10.1021/Jp501255T |
0.375 |
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| 2014 |
Li J, Guo H. A nine-dimensional global potential energy surface for NH4(X(2)A(1)) and kinetics studies on the H + NH3↔ H2 + NH2 reaction. Physical Chemistry Chemical Physics : Pccp. 16: 6753-63. PMID 24590183 DOI: 10.1039/C4Cp00241E |
0.481 |
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| 2014 |
Song H, Li J, Jiang B, Yang M, Lu Y, Guo H. Effects of reactant rotation on the dynamics of the OH + CH4 → H2O + CH3 reaction: a six-dimensional study. The Journal of Chemical Physics. 140: 084307. PMID 24588169 DOI: 10.1063/1.4866426 |
0.49 |
|
| 2014 |
Melko JJ, Ard SG, Johnson RS, Shuman NS, Guo H, Viggiano AA. Temperature-dependent kinetics of charge transfer, hydrogen-atom transfer, and hydrogen-atom expulsion in the reaction of CO+ with CH4 and CD4. The Journal of Physical Chemistry. A. 118: 8141-6. PMID 24588097 DOI: 10.1021/Jp500591H |
0.579 |
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| 2014 |
Ard SG, Melko JJ, Ushakov VG, Johnson R, Fournier JA, Shuman NS, Guo H, Troe J, Viggiano AA. Activation of methane by FeO+: determining reaction pathways through temperature-dependent kinetics and statistical modeling. The Journal of Physical Chemistry. A. 118: 2029-39. PMID 24568117 DOI: 10.1021/Jp5000705 |
0.634 |
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| 2014 |
Li Y, Suleimanov YV, Green WH, Guo H. Quantum rate coefficients and kinetic isotope effect for the reaction Cl + CH4 → HCl + CH3 from ring polymer molecular dynamics. The Journal of Physical Chemistry. A. 118: 1989-96. PMID 24558961 DOI: 10.1021/Jp501043Z |
0.657 |
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| 2014 |
Zhou L, Xie D, Sun Z, Guo H. Product fine-structure resolved photodissociation dynamics: the A band of H2O. The Journal of Chemical Physics. 140: 024310. PMID 24437880 DOI: 10.1063/1.4861230 |
0.624 |
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| 2014 |
Li A, Li Y, Guo H, Lau KC, Xu Y, Xiong B, Chang YC, Ng CY. Communication: the origin of rotational enhancement effect for the reaction of H2O(+) + H2 (D2). The Journal of Chemical Physics. 140: 011102. PMID 24410213 DOI: 10.1063/1.4861002 |
0.638 |
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| 2014 |
Otto R, Ma J, Ray AW, Daluz JS, Li J, Guo H, Continetti RE. Imaging dynamics on the F + H2O -> HF + OH potential energy surfaces from wells to barriers. Science (New York, N.Y.). 343: 396-9. PMID 24407479 DOI: 10.1126/Science.1247424 |
0.488 |
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| 2014 |
Jiang B, Guo H. Competition between abstraction and exchange channels in H + HCN reaction: full-dimensional quantum dynamics. The Journal of Chemical Physics. 139: 224310. PMID 24329071 DOI: 10.1063/1.4840475 |
0.41 |
|
| 2014 |
Li J, Jiang B, Guo H. Permutation invariant polynomial neural network approach to fitting potential energy surfaces. II. Four-atom systems. The Journal of Chemical Physics. 139: 204103. PMID 24289340 DOI: 10.1063/1.4832697 |
0.361 |
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| 2014 |
Jiang B, Guo H. Permutation invariant polynomial neural network approach to fitting potential energy surfaces. The Journal of Chemical Physics. 139: 054112. PMID 23927248 DOI: 10.1063/1.4817187 |
0.392 |
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| 2014 |
Jiang B, Guo H. Relative efficacy of vibrational vs. translational excitation in promoting atom-diatom reactivity: rigorous examination of Polanyi's rules and proposition of sudden vector projection (SVP) model. The Journal of Chemical Physics. 138: 234104. PMID 23802948 DOI: 10.1063/1.4810007 |
0.476 |
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| 2014 |
Morten Hundt P, Jiang B, Van Reijzen ME, Guo H, Beck RD. Vibrationally promoted dissociation of water on Ni(111) Science. 344: 504-507. DOI: 10.1126/science.1251277 |
0.393 |
|
| 2014 |
Xie C, Ma J, Zhu X, Zhang DH, Yarkony DR, Xie D, Guo H. Full-dimensional quantum state-to-state nonadiabatic dynamics for photodissociation of ammonia in its A -band Journal of Physical Chemistry Letters. 5: 1055-1060. DOI: 10.1021/jz500227d |
0.384 |
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| 2014 |
Jiang B, Guo H. Prediction of Mode Specificity, Bond Selectivity, Normal Scaling, and Surface Lattice Effects in Water Dissociative Chemisorption on Several Metal Surfaces Using the Sudden Vector Projection Model The Journal of Physical Chemistry C. 118: 26851-26858. DOI: 10.1021/Jp5090839 |
0.365 |
|
| 2014 |
Wang Y, Li J, Guo H, Yang M. A comparison study of the H + CH4 and H + SiH4 reactions with eight-dimensional quantum dynamics: normal mode versus local mode in the reactant molecule vibration Theoretical Chemistry Accounts. 133. DOI: 10.1007/S00214-014-1555-9 |
0.422 |
|
| 2014 |
Alday B, Johnson R, Li J, Guo H. Hemibond complexes between H2S and free radicals (F, Cl, Br, and OH) Theoretical Chemistry Accounts. 133. DOI: 10.1007/S00214-014-1540-3 |
0.564 |
|
| 2014 |
Jiang B, Guo H. Mode Specificity, Bond Selectivity, and Product Energy Disposal in X + CH4/CHD3(X=H, F, O(3P), Cl, and OH) Hydrogen Abstraction Reactions: Perspective from Sudden Vector Projection Model Journal of the Chinese Chemical Society. 61: 847-859. DOI: 10.1002/Jccs.201400158 |
0.381 |
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| 2013 |
Li Y, Suleimanov YV, Yang M, Green WH, Guo H. Ring Polymer Molecular Dynamics Calculations of Thermal Rate Constants for the O((3)P) + CH4 → OH + CH3 Reaction: Contributions of Quantum Effects. The Journal of Physical Chemistry Letters. 4: 48-52. PMID 26291210 DOI: 10.1021/Jz3019513 |
0.657 |
|
| 2013 |
Li J, Li Y, Guo H. Communication: covalent nature of X⋯H2O (X = F, Cl, and Br) interactions. The Journal of Chemical Physics. 138: 141102. PMID 24981521 DOI: 10.1063/1.4801872 |
0.574 |
|
| 2013 |
Dawes R, Lolur P, Li A, Jiang B, Guo H. Communication: An accurate global potential energy surface for the ground electronic state of ozone. The Journal of Chemical Physics. 139: 201103. PMID 24289336 DOI: 10.1063/1.4837175 |
0.485 |
|
| 2013 |
Ard SG, Melko JJ, Jiang B, Li Y, Shuman NS, Guo H, Viggiano AA. Temperature dependences for the reactions of O2(-) and O(-) with N and O atoms in a selected-ion flow tube instrument. The Journal of Chemical Physics. 139: 144302. PMID 24116614 DOI: 10.1063/1.4824018 |
0.59 |
|
| 2013 |
Hu X, Xie C, Xie D, Guo H. State-to-state quantum dynamics of the N(4S) + CH(X2Π) → CN(X2Σ+,A2Π) + H(2S) reactions. The Journal of Chemical Physics. 139: 124313. PMID 24089773 DOI: 10.1063/1.4822003 |
0.682 |
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| 2013 |
Jiang B, Guo H. Control of mode/bond selectivity and product energy disposal by the transition state: X + H2O (X = H, F, O(3P), and Cl) reactions. Journal of the American Chemical Society. 135: 15251-6. PMID 24044369 DOI: 10.1021/Ja408422Y |
0.468 |
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| 2013 |
Prozument K, Shaver RG, Ciuba MA, Muenter JS, Park GB, Stanton JF, Guo H, Wong BM, Perry DS, Field RW. A new approach toward transition state spectroscopy. Faraday Discussions. 163: 33-57; discussion 11. PMID 24020195 DOI: 10.1039/C3Fd20160K |
0.376 |
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| 2013 |
Li J, Dawes R, Guo H. Kinetic and dynamic studies of the Cl(2Pu) + H2O(X̃1A1) → HCl(X̃1Σ+) + OH(X̃2Π) reaction on an ab initio based full-dimensional global potential energy surface of the ground electronic state of ClH2O. The Journal of Chemical Physics. 139: 074302. PMID 23968087 DOI: 10.1063/1.4817967 |
0.523 |
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| 2013 |
Nguyen TL, Li J, Dawes R, Stanton JF, Guo H. Accurate determination of barrier height and kinetics for the F + H2O → HF + OH reaction. The Journal of Physical Chemistry. A. 117: 8864-72. PMID 23947780 DOI: 10.1021/Jp4069448 |
0.498 |
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| 2013 |
Li A, Guo H, Sun Z, K?os J, Alexander MH. State-to-state quantum dynamics of the F + HCl (vi = 0, ji = 0) → HF(vf, jf) + Cl reaction on the ground state potential energy surface. Physical Chemistry Chemical Physics : Pccp. 15: 15347-55. PMID 23928838 DOI: 10.1039/C3Cp51870A |
0.529 |
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| 2013 |
Daranlot J, Hu X, Xie C, Loison JC, Caubet P, Costes M, Wakelam V, Xie D, Guo H, Hickson KM. Low temperature rate constants for the N(4S) + CH(X2Πr) reaction. Implications for N2 formation cycles in dense interstellar clouds. Physical Chemistry Chemical Physics : Pccp. 15: 13888-96. PMID 23843017 DOI: 10.1039/C3Cp52535J |
0.623 |
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| 2013 |
Whitehill AR, Xie C, Hu X, Xie D, Guo H, Ono S. Vibronic origin of sulfur mass-independent isotope effect in photoexcitation of SO2 and the implications to the early earth's atmosphere. Proceedings of the National Academy of Sciences of the United States of America. 110: 17697-702. PMID 23836655 DOI: 10.1073/Pnas.1306979110 |
0.606 |
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| 2013 |
Xie C, Hu X, Zhou L, Xie D, Guo H. Ab initio determination of potential energy surfaces for the first two UV absorption bands of SO2. The Journal of Chemical Physics. 139: 014305. PMID 23822301 DOI: 10.1063/1.4811840 |
0.615 |
|
| 2013 |
Czakó G, Liu R, Yang M, Bowman JM, Guo H. Quasiclassical trajectory studies of the O(3P) + CX4(vk = 0, 1) → OXv + CX3(n1n2n3n4) [X = H and D] reactions on an ab initio potential energy surface. The Journal of Physical Chemistry. A. 117: 6409-20. PMID 23808940 DOI: 10.1021/Jp4038107 |
0.502 |
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| 2013 |
Allen JW, Green WH, Li Y, Guo H, Suleimanov YV. Communication: full dimensional quantum rate coefficients and kinetic isotope effects from ring polymer molecular dynamics for a seven-atom reaction OH + CH4 → CH3 + H2O. The Journal of Chemical Physics. 138: 221103. PMID 23781774 DOI: 10.1063/1.4811329 |
0.668 |
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| 2013 |
Melko JJ, Ard SG, Fournier JA, Li J, Shuman NS, Guo H, Troe J, Viggiano AA. Iron cation catalyzed reduction of N2O by CO: gas-phase temperature dependent kinetics. Physical Chemistry Chemical Physics : Pccp. 15: 11257-67. PMID 23722386 DOI: 10.1039/C3Cp50335F |
0.326 |
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| 2013 |
Li A, Li J, Guo H. Quantum manifestation of roaming in H + MgH → Mg + H2: the birth of roaming resonances. The Journal of Physical Chemistry. A. 117: 5052-60. PMID 23713798 DOI: 10.1021/Jp4049988 |
0.502 |
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| 2013 |
Li J, Guo H. A new ab initio based global HOOH(1(3)A") potential energy surface for the O((3)P) + H2O(X(1)A1) ↔ OH(X(2)Π) + OH(X(2)Π) reaction. The Journal of Chemical Physics. 138: 194304. PMID 23697415 DOI: 10.1063/1.4804418 |
0.474 |
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| 2013 |
Johnson RS, DeLaRiva A, Ashbacher V, Halevi B, Villanueva CJ, Smith GK, Lin S, Datye AK, Guo H. The CO oxidation mechanism and reactivity on PdZn alloys. Physical Chemistry Chemical Physics : Pccp. 15: 7768-76. PMID 23598906 DOI: 10.1039/C3Cp00126A |
0.536 |
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| 2013 |
Li Y, Suleimanov YV, Li J, Green WH, Guo H. Rate coefficients and kinetic isotope effects of the X + CH4 → CH3 + HX (X = H, D, Mu) reactions from ring polymer molecular dynamics. The Journal of Chemical Physics. 138: 094307. PMID 23485294 DOI: 10.1063/1.4793394 |
0.662 |
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| 2013 |
Li J, Jiang B, Guo H. Spin-orbit corrected full-dimensional potential energy surfaces for the two lowest-lying electronic states of FH2O and dynamics for the F + H2O → HF + OH reaction. The Journal of Chemical Physics. 138: 074309. PMID 23445011 DOI: 10.1063/1.4791640 |
0.459 |
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| 2013 |
Jiang B, Li J, Xie D, Guo H. Effects of reactant internal excitation and orientation on dissociative chemisorption of H2O on Cu(111): quasi-seven-dimensional quantum dynamics on a refined potential energy surface. The Journal of Chemical Physics. 138: 044704. PMID 23387612 DOI: 10.1063/1.4776770 |
0.674 |
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| 2013 |
Li A, Xie C, Xie D, Guo H. State-to-state quantum dynamics of the O(3P) + NH(X3Σ(-)) reaction on the three lowest-lying electronic states of HNO/HON. The Journal of Chemical Physics. 138: 024308. PMID 23320684 DOI: 10.1063/1.4774026 |
0.667 |
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| 2013 |
Li J, Jiang B, Guo H. Reactant vibrational excitations are more effective than translational energy in promoting an early-barrier reaction F + H2O → HF + OH. Journal of the American Chemical Society. 135: 982-985. PMID 23301908 DOI: 10.1021/Ja311159J |
0.478 |
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| 2013 |
Zhou L, Jiang B, Xie D, Guo H. State-to-state photodissociation dynamics of H2O in the B-band: competition between two coexisting nonadiabatic pathways. The Journal of Physical Chemistry. A. 117: 6940-7. PMID 23210666 DOI: 10.1021/Jp310546G |
0.667 |
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| 2013 |
Li J, Guo H. Quasi‐classical Trajectory Study of F+H2O→HF+OH Reaction: Influence of Barrier Height, Reactant Rotational Excitation, and Isotopic Substitution Chinese Journal of Chemical Physics. 26: 627-634. DOI: 10.1063/1674-0068/26/06/627-634 |
0.477 |
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| 2013 |
Gao J, Roehling JD, Li Y, Guo H, Moulé AJ, Grey JK. The effect of 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane charge transfer dopants on the conformation and aggregation of poly(3-hexylthiophene) Journal of Materials Chemistry C. 1: 5638-5646. DOI: 10.1039/C3Tc31047G |
0.552 |
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| 2013 |
Jiang B, Liu R, Li J, Xie D, Yang M, Guo H. Mode selectivity in methane dissociative chemisorption on Ni(111) Chemical Science. 4: 3249. DOI: 10.1039/C3Sc51040A |
0.407 |
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| 2013 |
Li J, Jiang B, Guo H. Enhancement of bimolecular reactivity by a pre-reaction van der Waals complex: the case of F + H2O → HF + HO Chem. Sci.. 4: 629-632. DOI: 10.1039/C2Sc21457A |
0.498 |
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| 2013 |
Jiang B, Xie D, Guo H. Vibrationally mediated bond selective dissociative chemisorption of HOD on Cu(111) Chem. Sci.. 4: 503-508. DOI: 10.1039/C2Sc21393A |
0.412 |
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| 2013 |
Li Y, Suleimanov YV, Yang M, Green WH, Guo H. Ring polymer molecular dynamics calculations of thermal rate constants for the O(3P) + CH4 → OH + CH3 reaction: Contributions of quantum effects Journal of Physical Chemistry Letters. 4: 48-52. DOI: 10.1021/jz3019513 |
0.579 |
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| 2013 |
Jiang B, Guo H. Mode and Bond Selectivities in Methane Dissociative Chemisorption: Quasi-Classical Trajectory Studies on Twelve-Dimensional Potential Energy Surface The Journal of Physical Chemistry C. 117: 16127-16135. DOI: 10.1021/Jp405720C |
0.435 |
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| 2013 |
Lin S, Ye X, Johnson RS, Guo H. First-Principles Investigations of Metal (Cu, Ag, Au, Pt, Rh, Pd, Fe, Co, and Ir) Doped Hexagonal Boron Nitride Nanosheets: Stability and Catalysis of CO Oxidation Journal of Physical Chemistry C. 117: 17319-17326. DOI: 10.1021/Jp4055445 |
0.542 |
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| 2013 |
Halevi B, Lin S, Roy A, Zhang H, Jeroro E, Vohs J, Wang Y, Guo H, Datye AK. High CO2 selectivity of ZnO powder catalysts for methanol steam reforming Journal of Physical Chemistry C. 117: 6493-6503. DOI: 10.1021/Jp308976U |
0.301 |
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| 2012 |
Ma J, Li J, Guo H. Quantum Dynamics of the HO + CO → H + CO2 Reaction on an Accurate Potential Energy Surface. The Journal of Physical Chemistry Letters. 3: 2482-6. PMID 26292137 DOI: 10.1021/Jz301064W |
0.523 |
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| 2012 |
Liu R, Yang M, Czakó G, Bowman JM, Li J, Guo H. Mode Selectivity for a "Central" Barrier Reaction: Eight-Dimensional Quantum Studies of the O((3)P) + CH4 → OH + CH3 Reaction on an Ab Initio Potential Energy Surface. The Journal of Physical Chemistry Letters. 3: 3776-80. PMID 26291110 DOI: 10.1021/Jz301735M |
0.437 |
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| 2012 |
Ma J, Zhu X, Guo H, Yarkony DR. First principles determination of the NH2∕ND2(Ã,X̃) branching ratios for photodissociation of NH3∕ND3 via full-dimensional quantum dynamics based on a new quasi-diabatic representation of coupled ab initio potential energy surfaces. The Journal of Chemical Physics. 137: 22A541. PMID 23249078 DOI: 10.1063/1.4753425 |
0.467 |
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| 2012 |
Corchado JC, Espinosa-Garcia J, Li J, Guo H. CO2 vibrational state distributions from quasi-classical trajectory studies of the HO + CO → H + CO2 reaction and H + CO2 inelastic collision. The Journal of Physical Chemistry. A. 117: 11648-54. PMID 23210528 DOI: 10.1021/Jp310503D |
0.421 |
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| 2012 |
Ma J, Li J, Guo H. Tunneling facilitated dissociation to H+CO2 in HOCO(-) photodetachment. Physical Review Letters. 109: 063202. PMID 23006263 DOI: 10.1103/Physrevlett.109.063202 |
0.42 |
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| 2012 |
Li J, Dawes R, Guo H. An ab initio based full-dimensional global potential energy surface for FH2O(X2A') and dynamics for the F + H2O → HF + HO reaction. The Journal of Chemical Physics. 137: 094304. PMID 22957566 DOI: 10.1063/1.4748857 |
0.523 |
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| 2012 |
Ma J, Guo H, Dawes R. Low temperature rate constants for the N + CN → N2 + C reaction: two-dimensional quantum capture calculations on an accurate potential energy surface. Physical Chemistry Chemical Physics : Pccp. 14: 12090-3. PMID 22864388 DOI: 10.1039/C2Cp41621B |
0.452 |
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| 2012 |
Xie C, Li J, Xie D, Guo H. Quasi-classical trajectory study of the H + CO2 → HO + CO reaction on a new ab initio based potential energy surface. The Journal of Chemical Physics. 137: 024308. PMID 22803537 DOI: 10.1063/1.4733334 |
0.696 |
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| 2012 |
Zhu X, Ma J, Yarkony DR, Guo H. Computational determination of the à state absorption spectrum of NH3 and of ND3 using a new quasi-diabatic representation of the X and à states and full six-dimensional quantum dynamics. The Journal of Chemical Physics. 136: 234301. PMID 22779587 DOI: 10.1063/1.4725496 |
0.413 |
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| 2012 |
Jiang B, Ren X, Xie D, Guo H. Enhancing dissociative chemisorption of H2O on Cu(111) via vibrational excitation. Proceedings of the National Academy of Sciences of the United States of America. 109: 10224-7. PMID 22685207 DOI: 10.1073/Pnas.1203895109 |
0.691 |
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| 2012 |
Li J, Xie C, Ma J, Wang Y, Dawes R, Xie D, Bowman JM, Guo H. Quasi-classical trajectory study of the HO + CO → H + CO2 reaction on a new ab initio based potential energy surface. The Journal of Physical Chemistry. A. 116: 5057-67. PMID 22574932 DOI: 10.1021/Jp302278R |
0.708 |
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| 2012 |
Li J, Wang Y, Jiang B, Ma J, Dawes R, Xie D, Bowman JM, Guo H. Communication: a chemically accurate global potential energy surface for the HO + CO → H + CO2 reaction. The Journal of Chemical Physics. 136: 041103. PMID 22299853 DOI: 10.1063/1.3680256 |
0.642 |
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| 2012 |
Jiang B, Xie D, Guo H. State-to-state photodissociation dynamics of triatomic molecules: H2O in the B band. The Journal of Chemical Physics. 136: 034302. PMID 22280755 DOI: 10.1063/1.3676725 |
0.684 |
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| 2012 |
Ma J, Xu D, Guo H, Tyng V, Kellman ME. Isotope effect in normal-to-local transition of acetylene bending modes. The Journal of Chemical Physics. 136: 014304. PMID 22239778 DOI: 10.1063/1.3673570 |
0.381 |
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| 2012 |
Guo H. Quantum dynamics of complex-forming bimolecular reactions International Reviews in Physical Chemistry. 31: 1-68. DOI: 10.1080/0144235X.2011.649999 |
0.436 |
|
| 2012 |
Lin S, Xie D, Guo H. First-principles study of the methyl formate pathway of methanol steam reforming on PdZn(111) with comparison to Cu(111) Journal of Molecular Catalysis a: Chemical. 356: 165-170. DOI: 10.1016/J.Molcata.2012.01.011 |
0.312 |
|
| 2012 |
Li Y, Guo H. Atomistic simulations of an antimicrobial molecule interacting with a model bacterial membrane Theoretical Chemistry Accounts. 132. DOI: 10.1007/S00214-012-1303-Y |
0.552 |
|
| 2012 |
Guo H. Theoretical characterization of reaction dynamics in the gas phase and at interfaces Theoretical Chemistry Accounts. 131: 1-3. DOI: 10.1007/S00214-011-1077-7 |
0.325 |
|
| 2011 |
Daranlot J, Jorfi M, Xie C, Bergeat A, Costes M, Caubet P, Xie D, Guo H, Honvault P, Hickson KM. Revealing atom-radical reactivity at low temperature through the N + OH reaction. Science (New York, N.Y.). 334: 1538-41. PMID 22174248 DOI: 10.1126/Science.1213789 |
0.618 |
|
| 2011 |
Xie C, Li A, Xie D, Guo H. State-to-state quantum dynamics of the N(4S) + OH(X2Π) → H(2S) + NO(X 2Π) reaction. The Journal of Chemical Physics. 135: 164312. PMID 22047244 DOI: 10.1063/1.3656243 |
0.685 |
|
| 2011 |
Smith GK, Ke Z, Guo H, Hengge AC. Insights into the phosphoryl transfer mechanism of cyclin-dependent protein kinases from ab initio QM/MM free-energy studies. The Journal of Physical Chemistry. B. 115: 13713-22. PMID 21999515 DOI: 10.1021/Jp207532S |
0.356 |
|
| 2011 |
Jiang B, Xie D, Guo H. Calculation of multiple initial state selected reaction probabilities from Chebyshev flux-flux correlation functions: influence of reactant internal excitations on H + H2O → OH + H2. The Journal of Chemical Physics. 135: 084112. PMID 21895164 DOI: 10.1063/1.3626525 |
0.67 |
|
| 2011 |
Dawes R, Lolur P, Ma J, Guo H. Communication: highly accurate ozone formation potential and implications for kinetics. The Journal of Chemical Physics. 135: 081102. PMID 21895148 DOI: 10.1063/1.3632055 |
0.389 |
|
| 2011 |
Wu S, Zhang C, Cao R, Xu D, Guo H. pH-Dependent reactivity for glycyl-L-tyrosine in carboxypeptidase-A-catalyzed hydrolysis. The Journal of Physical Chemistry. B. 115: 10360-7. PMID 21732684 DOI: 10.1021/Jp2046504 |
0.334 |
|
| 2011 |
Ke Z, Smith GK, Zhang Y, Guo H. Molecular mechanism for eliminylation, a newly discovered post-translational modification. Journal of the American Chemical Society. 133: 11103-5. PMID 21710993 DOI: 10.1021/Ja204378Q |
0.578 |
|
| 2011 |
Jiang B, Xie D, Guo H. Communication: state-to-state differential cross sections for H2O(B̃) photodissociation. The Journal of Chemical Physics. 134: 231103. PMID 21702544 DOI: 10.1063/1.3604567 |
0.652 |
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| 2011 |
Li A, Xie C, Xie D, Guo H. A global ab initio potential energy surface for HNO (a3A") and quantum mechanical studies of vibrational states and reaction dynamics. The Journal of Chemical Physics. 134: 194309. PMID 21599061 DOI: 10.1063/1.3592375 |
0.707 |
|
| 2011 |
Wang X, Wu S, Xu D, Xie D, Guo H. Inhibitor and substrate binding by angiotensin-converting enzyme: quantum mechanical/molecular mechanical molecular dynamics studies. Journal of Chemical Information and Modeling. 51: 1074-82. PMID 21520937 DOI: 10.1021/Ci200083F |
0.541 |
|
| 2011 |
Lin S, Johnson RS, Smith GK, Xie D, Guo H. Pathways for methanol steam reforming involving adsorbed formaldehyde and hydroxyl intermediates on Cu(111): density functional theory studies. Physical Chemistry Chemical Physics : Pccp. 13: 9622-31. PMID 21487630 DOI: 10.1039/C1Cp20067D |
0.684 |
|
| 2011 |
Li Z, Xie C, Jiang B, Xie D, Liu L, Sun Z, Zhang DH, Guo H. Quantum and quasiclassical state-to-state dynamics of the NH + H reaction: competition between abstraction and exchange channels. The Journal of Chemical Physics. 134: 134303. PMID 21476751 DOI: 10.1063/1.3574898 |
0.711 |
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| 2011 |
Ke Z, Guo H, Xie D, Wang S, Zhang Y. Ab initio QM/MM free-energy studies of arginine deiminase catalysis: the protonation state of the Cys nucleophile. The Journal of Physical Chemistry. B. 115: 3725-33. PMID 21395290 DOI: 10.1021/Jp200843S |
0.763 |
|
| 2011 |
Ma J, Guo H, Xie C, Li A, Xie D. State-to-state quantum dynamics of the H((2)S) + O2(ã(1)Δ(g)) → O((3)P)+OH(X(2)Π) reaction on the first excited state of HO2(Ã(2)A'). Physical Chemistry Chemical Physics : Pccp. 13: 8407-13. PMID 21344113 DOI: 10.1039/C0Cp02116D |
0.684 |
|
| 2011 |
Lin S, Xie D, Guo H. Pathways of Methanol Steam Reforming on PdZn and Comparison with Cu The Journal of Physical Chemistry C. 115: 20583-20589. DOI: 10.1021/Jp206511Q |
0.31 |
|
| 2011 |
Lin S, Xie D, Guo H. Methyl Formate Pathway in Methanol Steam Reforming on Copper: Density Functional Calculations Acs Catalysis. 1: 1263-1271. DOI: 10.1021/Cs200311T |
0.301 |
|
| 2011 |
Smith GK, Lin S, Lai W, Datye A, Xie D, Guo H. Initial steps in methanol steam reforming on PdZn and ZnO surfaces: Density functional theory studies Surface Science. 605: 750-759. DOI: 10.1016/J.Susc.2011.01.014 |
0.33 |
|
| 2011 |
Wang L, Xie D, Guo H, Li H, Le Roy RJ, Roy PN. Superfluid response of 4HeN-N2O clusters probed by path integral Monte Carlo simulations Journal of Molecular Spectroscopy. 267: 136-143. DOI: 10.1016/J.Jms.2011.03.007 |
0.51 |
|
| 2011 |
Ma J, Guo H. Full-dimensional quantum state resolved predissociation dynamics of HCO2 prepared by photodetaching HCO2− Chemical Physics Letters. 511: 193-195. DOI: 10.1016/J.Cplett.2011.06.069 |
0.476 |
|
| 2011 |
Smith CR, Smith GK, Yang Z, Xu D, Guo H. Quantum mechanical/molecular mechanical study of anthrax lethal factor catalysis Theoretical Chemistry Accounts. 128: 83-90. DOI: 10.1007/S00214-010-0765-Z |
0.325 |
|
| 2010 |
Li A, Xie D, Dawes R, Jasper AW, Ma J, Guo H. Global potential energy surface, vibrational spectrum, and reaction dynamics of the first excited (Ã (2)A(')) state of HO(2). The Journal of Chemical Physics. 133: 144306. PMID 20949999 DOI: 10.1063/1.3490642 |
0.692 |
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| 2010 |
Ma J, Lin SY, Guo H, Sun Z, Zhang DH, Xie D. State-to-state quantum dynamics of the O(3P)+OH(2Pi)-->H(2S)+O2(3Sigma(g)-) reaction. The Journal of Chemical Physics. 133: 054302. PMID 20707527 DOI: 10.1063/1.3455431 |
0.713 |
|
| 2010 |
Wu S, Zhang C, Xu D, Guo H. Catalysis of carboxypeptidase A: promoted-water versus nucleophilic pathways. The Journal of Physical Chemistry. B. 114: 9259-67. PMID 20583802 DOI: 10.1021/Jp101448J |
0.358 |
|
| 2010 |
Lin SY, Guo H, Jiang B, Zhou S, Xie D. Non-Born-Oppenheimer state-to-state dynamics of the N((2)D) + H(2) → NH(X(3)Sigma(-)) + H reaction: influence of the Renner-Teller coupling. The Journal of Physical Chemistry. A. 114: 9655-61. PMID 20394452 DOI: 10.1021/Jp100976G |
0.664 |
|
| 2010 |
Sun Z, Guo H, Zhang DH. Extraction of state-to-state reactive scattering attributes from wave packet in reactant Jacobi coordinates. The Journal of Chemical Physics. 132: 084112. PMID 20192295 DOI: 10.1063/1.3328109 |
0.469 |
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| 2010 |
Sun Z, Liu L, Lin SY, Schinke R, Guo H, Zhang DH. State-to-state quantum dynamics of O + O2 isotope exchange reactions reveals nonstatistical behavior at atmospheric conditions. Proceedings of the National Academy of Sciences of the United States of America. 107: 555-8. PMID 20080718 DOI: 10.1073/Pnas.0911356107 |
0.515 |
|
| 2010 |
Lai W, Lin SY, Xie D, Guo H. Nonadiabatic dynamics of A-state photodissociation of ammonia: a four-dimensional wave packet study. The Journal of Physical Chemistry. A. 114: 3121-6. PMID 19904972 DOI: 10.1021/Jp908688A |
0.668 |
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| 2009 |
Lique F, Jorfi M, Honvault P, Halvick P, Lin SY, Guo H, Xie DQ, Dagdigian PJ, K?os J, Alexander MH. O+OH-->O(2)+H: A key reaction for interstellar chemistry. New theoretical results and comparison with experiment. The Journal of Chemical Physics. 131: 221104. PMID 20001016 DOI: 10.1063/1.3274226 |
0.449 |
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| 2009 |
Li Z, Xie D, Sun Z, Zhang DH, Lin SY, Guo H. NH(X3Sigma) + H/D(2S) --> H(2S) + NH/ND(X3Sigma) exchange reactions: state-to-state quantum scattering and applicability of statistical model. The Journal of Chemical Physics. 131: 124313. PMID 19791887 DOI: 10.1063/1.3241134 |
0.692 |
|
| 2009 |
Smith GK, Ke Z, Hengge AC, Xu D, Xie D, Guo H. Active-site dynamics of SpvC virulence factor from Salmonella typhimurium and density functional theory study of phosphothreonine lyase catalysis. The Journal of Physical Chemistry. B. 113: 15327-33. PMID 19715325 DOI: 10.1021/Jp9052677 |
0.566 |
|
| 2009 |
Farantos SC, Schinke R, Guo H, Joyeux M. Energy localization in molecules, bifurcation phenomena, and their spectroscopic signatures: the global view. Chemical Reviews. 109: 4248-71. PMID 19580261 DOI: 10.1021/Cr900069M |
0.592 |
|
| 2009 |
Xu D, Guo H. Quantum mechanical/molecular mechanical and density functional theory studies of a prototypical zinc peptidase (carboxypeptidase A) suggest a general acid-general base mechanism. Journal of the American Chemical Society. 131: 9780-8. PMID 19552427 DOI: 10.1021/Ja9027988 |
0.398 |
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| 2009 |
Lin SY, Guo H, Lendvay G, Xie D. Effects of reactant rotational excitation on H + O2--> OH + O reaction rate constant: quantum wave packet, quasi-classical trajectory and phase space theory calculations. Physical Chemistry Chemical Physics : Pccp. 11: 4715-21. PMID 19492124 DOI: 10.1039/B822746M |
0.768 |
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| 2009 |
Zhou S, Li Z, Xie D, Lin SY, Guo H. An ab initio global potential-energy surface for NH2(A(2)A') and vibrational spectrum of the Renner-Teller A(2)A'-X(2)A" system. The Journal of Chemical Physics. 130: 184307. PMID 19449921 DOI: 10.1063/1.3125511 |
0.661 |
|
| 2009 |
Sun Z, Lee SY, Guo H, Zhang DH. Comparison of second-order split operator and Chebyshev propagator in wave packet based state-to-state reactive scattering calculations. The Journal of Chemical Physics. 130: 174102. PMID 19425764 DOI: 10.1063/1.3126363 |
0.502 |
|
| 2009 |
Lin S, Xie D, Guo H. Ab initio potential energy surfaces for the ground (X1A') and excited (A1A'') electronic states of HGeBr and the Absorption and emission spectra of HGeBr/DGeBr. The Journal of Physical Chemistry. A. 113: 7314-21. PMID 19290597 DOI: 10.1021/Jp810990J |
0.644 |
|
| 2009 |
Lin SY, Guo H. Adiabatic and nonadiabatic state-to-state quantum dynamics for O(1D) + H2(X1Sigma(g)+, nu(i) = j(i) = 0) --> OH(X2Pi, nu(f), j(f)) + H(2S) reaction. The Journal of Physical Chemistry. A. 113: 4285-93. PMID 19278257 DOI: 10.1021/jp810948k |
0.37 |
|
| 2009 |
Lin SY, Guo H. Energy dependence of differential and integral cross sections for O((1)D)+H(2)(upsilon(i)=0,j(i)=0)-->OH(upsilon(f),j(f))+H reaction. The Journal of Chemical Physics. 129: 124311. PMID 19045027 DOI: 10.1063/1.2981063 |
0.369 |
|
| 2009 |
Sun Z, Lee S, Guo H, Zhang DH. Erratum: “Comparison of second-order split operator and Chebyshev propagator in wave packet based state-to-state reactive scattering calculations” [J. Chem. Phys. 130, 174102 (2009)] The Journal of Chemical Physics. 131: 049906. DOI: 10.1063/1.3188777 |
0.416 |
|
| 2008 |
Lin S, Xie D, Guo H. Ab initio potential energy surfaces for both the ground (X (1)A') and excited (A (1)A") electronic states of HGeCl and the absorption and emission spectra of HGeCl/DGeCl. The Journal of Chemical Physics. 129: 154313. PMID 19045199 DOI: 10.1063/1.2994736 |
0.648 |
|
| 2008 |
Lai W, Lin SY, Xie D, Guo H. Full-dimensional quantum dynamics of A-state photodissociation of ammonia: absorption spectra. The Journal of Chemical Physics. 129: 154311. PMID 19045197 DOI: 10.1063/1.2996357 |
0.66 |
|
| 2008 |
Sun Z, Zhang DH, Xu C, Zhou S, Xie D, Lendvay G, Lee SY, Lin SY, Guo H. State-to-state dynamics of H + O2 reaction, evidence for nonstatistical behavior. Journal of the American Chemical Society. 130: 14962-3. PMID 18921998 DOI: 10.1021/Ja8068616 |
0.793 |
|
| 2008 |
Li Z, Wang L, Ran H, Xie D, Blinov N, Roy PN, Guo H. Path integral Monte Carlo study of CO2 solvation in 4He clusters. The Journal of Chemical Physics. 128: 224513. PMID 18554035 DOI: 10.1063/1.2938367 |
0.59 |
|
| 2008 |
Zhou S, Xie D, Lin SY, Guo H, Guo H. A new ab initio potential-energy surface for NH2(X 2A") and quantum studies of NH2 vibrational spectrum and rate constant for the N(2D)+H2-->NH+H reaction. The Journal of Chemical Physics. 128: 224316. PMID 18554022 DOI: 10.1063/1.2939016 |
0.657 |
|
| 2008 |
Li L, Li Z, Wang C, Xu D, Mariano PS, Guo H, Dunaway-Mariano D. The electrostatic driving force for nucleophilic catalysis in L-arginine deiminase: a combined experimental and theoretical study. Biochemistry. 47: 4721-32. PMID 18366187 DOI: 10.1021/Bi7023496 |
0.334 |
|
| 2008 |
Riccardi D, König P, Guo H, Cui Q. Proton transfer in carbonic anhydrase is controlled by electrostatics rather than the orientation of the acceptor. Biochemistry. 47: 2369-78. PMID 18247480 DOI: 10.1021/Bi701950J |
0.343 |
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| 2008 |
Lin SY, Guo H, Honvault P, Xu C, Xie D. Accurate quantum mechanical calculations of differential and integral cross sections and rate constant for the O+OH reaction using an ab initio potential energy surface. The Journal of Chemical Physics. 128: 014303. PMID 18190192 DOI: 10.1063/1.2812559 |
0.677 |
|
| 2008 |
Lin SY, Sun Z, Guo H, Zhang DH, Honvault P, Xie D, Lee SY. Fully Coriolis-coupled quantum studies of the H + O2 (upsilon i = 0-2, j i = 0,1) --> OH + O reaction on an accurate potential energy surface: integral cross sections and rate constants. The Journal of Physical Chemistry. A. 112: 602-11. PMID 18181592 DOI: 10.1021/Jp7098637 |
0.698 |
|
| 2008 |
Quan D, Herbst E, Millar TJ, Hassel GE, Lin SY, Guo H, Honvault P, Xie D. New theoretical results concerning the interstellar abundance of molecular oxygen Astrophysical Journal. 681: 1318-1326. DOI: 10.1086/588007 |
0.327 |
|
| 2008 |
Zhou S, Xie D, Lin SY, Guo H. Publisher’s Note: “A new ab initio potential-energy surface for NH2(X2A″) and quantum studies of NH2 vibrational spectrum and rate constant for the N(D2)+H2→NH+H reaction” [J. Chem. Phys. 128, 224316 (2008)] The Journal of Chemical Physics. 129: 129902. DOI: 10.1063/1.2985811 |
0.442 |
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| 2008 |
Jorfi M, Honvault P, Halvick P, Lin S, Guo H. Quasiclassical trajectory scattering calculations for the OH+O→H+O2 reaction: Cross sections and rate constants Chemical Physics Letters. 462: 53-57. DOI: 10.1016/J.Cplett.2008.07.069 |
0.482 |
|
| 2008 |
Zhou S, Xie D, Xu D, Guo H, Field RW. Theoretical emission spectra of HNC(over(A, ̃)1 A″) on a new ab initio potential energy surface Chemical Physics Letters. 455: 145-150. DOI: 10.1016/J.Cplett.2008.02.064 |
0.46 |
|
| 2008 |
Lin SY, Guo H, Honvault P. Quantum dynamics of C(3P)+OH(X2Π)→H(2S)+CO(X1Σ+) reaction Chemical Physics Letters. 453: 140-144. DOI: 10.1016/J.Cplett.2008.01.030 |
0.436 |
|
| 2008 |
Lendvay G, Xie D, Guo H. Mechanistic insights into the H+O2→OH+O reaction from quasi-classical trajectory studies on a new ab initio potential energy surface Chemical Physics. 349: 181-187. DOI: 10.1016/J.Chemphys.2008.02.022 |
0.696 |
|
| 2007 |
Xu D, Guo H, Cui Q. Antibiotic deactivation by a dizinc beta-lactamase: mechanistic insights from QM/MM and DFT studies. Journal of the American Chemical Society. 129: 10814-22. PMID 17691780 DOI: 10.1021/Ja072532M |
0.347 |
|
| 2007 |
Xu C, Xie D, Honvault P, Lin SY, Guo H. Rate constant for OH(2 Pi)+O(3P)-->H(2S)+O2(3 Sigma g-) reaction on an improved ab initio potential energy surface and implications for the interstellar oxygen problem. The Journal of Chemical Physics. 127: 024304. PMID 17640125 DOI: 10.1063/1.2753484 |
0.658 |
|
| 2007 |
Xu C, Jiang B, Xie D, Farantos SC, Lin SY, Guo H. Analysis of the HO2 vibrational spectrum on an accurate ab initio potential energy surface. The Journal of Physical Chemistry. A. 111: 10353-61. PMID 17602457 DOI: 10.1021/Jp072319C |
0.773 |
|
| 2007 |
Honvault P, Lin SY, Xie D, Guo H. Differential and integral cross sections for the H + O2 --> OH + O combustion reaction. The Journal of Physical Chemistry. A. 111: 5349-52. PMID 17547384 DOI: 10.1021/Jp072904D |
0.628 |
|
| 2007 |
Zhang L, Xie D, Xu D, Guo H. Supermolecule density functional calculations suggest a key role for solvent in alkaline hydrolysis of p-nitrophenyl phosphate. Chemical Communications (Cambridge, England). 1638-40. PMID 17530085 DOI: 10.1039/B617946K |
0.574 |
|
| 2007 |
Wang C, Xu D, Zhang L, Xie D, Guo H. Molecular dynamics and density functional studies of substrate binding and catalysis of arginine deiminase. The Journal of Physical Chemistry. B. 111: 3267-73. PMID 17388453 DOI: 10.1021/Jp067541G |
0.541 |
|
| 2007 |
Lin SY, Bañares L, Guo H. Differential and integral cross sections of the N(2D)+H2-->NH+H reaction from exact quantum and quasi-classical trajectory calculations. The Journal of Physical Chemistry. A. 111: 2376-84. PMID 17388329 DOI: 10.1021/JP0682715 |
0.373 |
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| 2007 |
Xie D, Xu C, Ho TS, Rabitz H, Lendvay G, Lin SY, Guo H. Global analytical potential energy surfaces for HO2(X2A") based on high-level ab initio calculations. The Journal of Chemical Physics. 126: 074315. PMID 17328613 DOI: 10.1063/1.2446994 |
0.792 |
|
| 2007 |
Wyngarden AL, Mar KA, Boering KA, Lin JJ, Lee YT, Lin SY, Guo H, Lendvay G. Nonstatistical behavior of reactive scattering in the (18)O+(32)O(2) isotope exchange reaction. Journal of the American Chemical Society. 129: 2866-70. PMID 17300194 DOI: 10.1021/Ja0668163 |
0.687 |
|
| 2007 |
Lin SY, Guo H, Honvault P, Xie D. Quantum dynamics of the H + O2 --> O + OH reaction on an accurate ab initio potential energy surface. The Journal of Physical Chemistry. B. 110: 23641-3. PMID 17125321 DOI: 10.1021/Jp0658039 |
0.678 |
|
| 2007 |
Lin SY, Xie D, Guo H. Revelation of non-statistical behavior in HO2 vibration by a new ab initio potential energy surface. The Journal of Chemical Physics. 125: 091103. PMID 16965065 DOI: 10.1063/1.2349476 |
0.66 |
|
| 2007 |
Lin SY, Guo H. Exact quantum dynamics of N(2D) + H2 --> NH + H reaction: cross-sections, rate constants, and dependence on reactant rotation. The Journal of Chemical Physics. 124: 031101. PMID 16438560 DOI: 10.1063/1.2163871 |
0.369 |
|
| 2007 |
Lin SY, Rackham EJ, Guo H. Quantum mechanical rate constants for H + O2 <--> O + OH and H + O2 --> HO2 reactions. The Journal of Physical Chemistry. A. 110: 1534-40. PMID 16435814 DOI: 10.1021/JP053555V |
0.328 |
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| 2007 |
Xu C, Xie D, Zhang DH, Lin SY, Guo H. A new ab initio potential-energy surface of HO2(X2A") and quantum studies of HO2 vibrational spectrum and rate constants for the H + O2 <--> O + OH reactions. The Journal of Chemical Physics. 122: 244305. PMID 16035755 DOI: 10.1063/1.1944290 |
0.71 |
|
| 2007 |
Lin SY, Guo H. Reactions of C(1D) with H2 and its deuterated isotopomers, a wave packet study. The Journal of Chemical Physics. 121: 1285-92. PMID 15260670 DOI: 10.1063/1.1764502 |
0.366 |
|
| 2007 |
Ran H, Xie D, Guo H. Theoretical studies of over(C, ∼)1 B2 absorption spectra of SO2 isotopomers Chemical Physics Letters. 439: 280-283. DOI: 10.1016/J.Cplett.2007.03.103 |
0.396 |
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| 2006 |
Wang J, Li H, Lou B, Zu L, Guo H, Wang W. Enantio- and diastereoselective Michael addition reactions of unmodified aldehydes and ketones with nitroolefins catalyzed by a pyrrolidine sulfonamide. Chemistry (Weinheim An Der Bergstrasse, Germany). 12: 4321-32. PMID 16575937 DOI: 10.1002/Chem.200600115 |
0.368 |
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| 2006 |
Riccardi D, Schaefer P, Yang Y, Yu H, Ghosh N, Prat-Resina X, König P, Li G, Xu D, Guo H, Elstner M, Cui Q. Development of effective quantum mechanical/molecular mechanical (QM/MM) methods for complex biological processes. The Journal of Physical Chemistry. B. 110: 6458-69. PMID 16570942 DOI: 10.1021/Jp056361O |
0.347 |
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| 2006 |
Xu D, Xie D, Guo H. Catalytic mechanism of class B2 metallo-beta-lactamase. The Journal of Biological Chemistry. 281: 8740-7. PMID 16423823 DOI: 10.1074/Jbc.M512517200 |
0.532 |
|
| 2006 |
Wu J, Xu D, Lu X, Wang C, Guo H, Dunaway-Mariano D. Contributions of long-range electrostatic interactions to 4-chlorobenzoyl-CoA dehalogenase catalysis: a combined theoretical and experimental study. Biochemistry. 45: 102-12. PMID 16388585 DOI: 10.1021/Bi051477W |
0.33 |
|
| 2006 |
Lin SY, Guo H, Farantos SC. Resonances of CH2(a 1A1) and their roles in unimolecular and bimolecular reactions. The Journal of Chemical Physics. 122: 124308. PMID 15836379 DOI: 10.1063/1.1866094 |
0.674 |
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| 2006 |
Ying Lin S, Guo H. Quantum statistical and wave packet studies of insertion reactions of S(1D) with H2, HD, and D2. The Journal of Chemical Physics. 122: 074304. PMID 15743229 DOI: 10.1063/1.1851500 |
0.329 |
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| 2006 |
Lin SY, Guo H. A wave packet based statistical approach to complex-forming reactions. The Journal of Chemical Physics. 120: 9907-10. PMID 15268008 DOI: 10.1063/1.1756584 |
0.366 |
|
| 2006 |
Lin SY, Guo H. Quantum state-to-state cross sections for atom-diatom reactions: A Chebyshev real wave-packet approach Physical Review A. 74. DOI: 10.1103/Physreva.74.022703 |
0.416 |
|
| 2005 |
Xie D, Xu D, Zhang L, Guo H. Theoretical study of general base-catalyzed hydrolysis of aryl esters and implications for enzymatic reactions. The Journal of Physical Chemistry. B. 109: 5259-66. PMID 16863192 DOI: 10.1021/Jp0506181 |
0.63 |
|
| 2005 |
Xu D, Guo H, Liu Y, York DM. Theoretical studies of dissociative phosphoryl transfer in interconversion of phosphoenolpyruvate to phosphonopyruvate: solvent effects, thio effects, and implications for enzymatic reactions. The Journal of Physical Chemistry. B. 109: 13827-34. PMID 16852731 DOI: 10.1021/Jp051042I |
0.42 |
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| 2005 |
Zhang L, Xie D, Xu D, Guo H. Reactivity of metaphosphate and thiometaphosphate in water: a DFT study. The Journal of Physical Chemistry. A. 109: 11295-303. PMID 16331914 DOI: 10.1021/Jp054430T |
0.557 |
|
| 2005 |
Xu D, Zhou Y, Xie D, Guo H. Antibiotic binding to monozinc CphA beta-lactamase from Aeromonas hydropila: quantum mechanical/molecular mechanical and density functional theory studies. Journal of Medicinal Chemistry. 48: 6679-89. PMID 16220984 DOI: 10.1021/Jm0505112 |
0.501 |
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| 2005 |
Wang J, Li H, Mei Y, Lou B, Xu D, Xie D, Guo H, Wang W. Direct, facile aldehyde and ketone alpha-selenenylation reactions promoted by L-prolinamide and pyrrolidine sulfonamide organocatalysts. The Journal of Organic Chemistry. 70: 5678-87. PMID 15989353 DOI: 10.1021/Jo0506940 |
0.582 |
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| 2005 |
Xie D, Zhou Y, Xu D, Guo H. Solvent effect on concertedness of the transition state in the hydrolysis of p-nitrophenyl acetate. Organic Letters. 7: 2093-5. PMID 15901142 DOI: 10.1021/ol0502836 |
0.559 |
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| 2005 |
Li H, Xie D, Guo H. A reliable ab initio potential energy surface and vibrational states for the ground electronic state of HgH2(X1Sigma+g). The Journal of Chemical Physics. 122: 144314. PMID 15847529 DOI: 10.1063/1.1876132 |
0.622 |
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| 2005 |
Li S, Xie D, Gong B, Guo H. Stability of a new class of unnatural hydrogen-bonded molecular duplexes: A computational study Chemical Physics Letters. 410: 264-268. DOI: 10.1016/J.Cplett.2005.05.076 |
0.304 |
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| 2004 |
Xu D, Wei Y, Wu J, Dunaway-Mariano D, Guo H, Cui Q, Gao J. QM/MM studies of the enzyme-catalyzed dechlorination of 4-chlorobenzoyl-CoA provide insight into reaction energetics. Journal of the American Chemical Society. 126: 13649-58. PMID 15493922 DOI: 10.1021/Ja0460211 |
0.369 |
|
| 2004 |
Yuan L, Feng W, Yamato K, Sanford AR, Xu D, Guo H, Gong B. Highly efficient, one-step macrocyclizations assisted by the folding and preorganization of precursor oligomers. Journal of the American Chemical Society. 126: 11120-1. PMID 15355071 DOI: 10.1021/Ja0474547 |
0.319 |
|
| 2004 |
Li H, Xie D, Guo H. An ab initio potential energy surface and vibrational states of MgH2(1(1)A'). The Journal of Chemical Physics. 121: 4156-63. PMID 15332962 DOI: 10.1063/1.1777215 |
0.622 |
|
| 2004 |
Li H, Xie D, Guo H. An ab initio potential energy surface and predissociative resonances of HArF. The Journal of Chemical Physics. 120: 4273-80. PMID 15268596 DOI: 10.1063/1.1643714 |
0.622 |
|
| 2004 |
Xu D, Guo H, Gao J, Cui Q. A QM/MM study of a nucleophilic aromatic substitution reaction catalyzed by 4-chlorobenzoyl-CoA dehalogenase. Chemical Communications (Cambridge, England). 892-3. PMID 15045116 DOI: 10.1039/B401159G |
0.365 |
|
| 2004 |
Farantos SC, Lin SY, Guo H. A regular isomerization path among chaotic vibrational states of CH2(a˜1A1) Chemical Physics Letters. 399: 260-265. DOI: 10.1016/J.Cplett.2004.10.018 |
0.649 |
|
| 2004 |
Ying Lin S, Guo H. Quantum integral cross-section and rate constant of the O(1D)+H2 → OH+H reaction on a new potential energy surface Chemical Physics Letters. 385: 193-197. DOI: 10.1016/J.Cplett.2003.12.090 |
0.477 |
|
| 2003 |
XU D, GUO H, XIE D. THEORETICAL STUDIES OF $\tilde{A}{}^1
A^{\prime\prime}\to\tilde{X}{}^1 A^\prime$ RESONANCE EMISSION SPECTRA OF HCN/DCN USING SINGLE LANCZOS PROPAGATION METHOD Journal of Theoretical and Computational Chemistry. 2: 639-648. DOI: 10.1142/S0219633603000707 |
0.434 |
|
| 2003 |
Xu D, Chen R, Guo H. Probing highly excited vibrational eigenfunctions using a modified single Lanczos propagation method: Application to acetylene (HCCH) The Journal of Chemical Physics. 118: 7273. DOI: 10.1063/1.1562626 |
0.422 |
|
| 2003 |
Lin SY, Guo H. Full-dimensional quantum wave packet study of collision-induced vibrational relaxation between para-H2 Chemical Physics. 289: 191-199. DOI: 10.1016/S0301-0104(03)00020-X |
0.424 |
|
| 2003 |
Xu D, Guo H, Zou S, Bowman J. A scaled ab initio potential energy surface for acetylene and vinylidene Chemical Physics Letters. 377: 582-588. DOI: 10.1016/S0009-2614(03)01184-9 |
0.452 |
|
| 2002 |
Zhou C, Xie D, Chen R, Yan G, Guo H, Tyng V, Kellman ME. Quantum calculation of highly excited vibrational energy levels of CS2(X) on a new empirical potential energy surface and semiclassical analysis of 1:2 Fermi resonance. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 58: 727-46. PMID 11991492 DOI: 10.1016/S1386-1425(01)00666-7 |
0.648 |
|
| 2002 |
GUO H, CHEN R, XIE D. CALCULATION OF TRANSITION AMPLITUDES WITH A SINGLE LANCZOS PROPAGATION Journal of Theoretical and Computational Chemistry. 1: 173-185. DOI: 10.1142/S0219633602000129 |
0.353 |
|
| 2002 |
Xu D, Xie D, Guo H. Theoretical study of predissociation dynamics of HCN/DCN in their first absorption bands The Journal of Chemical Physics. 116: 10626-10635. DOI: 10.1063/1.1480874 |
0.466 |
|
| 2002 |
Xie D, Li S, Guo H. Direct calculation of cumulative reaction probabilities from Chebyshev correlation functions The Journal of Chemical Physics. 116: 6391-6396. DOI: 10.1063/1.1461809 |
0.42 |
|
| 2002 |
Xu D, Xie D, Guo H. Predissociation of HCN/DCN in Two Lowest-Lying Singlet Excited States: Effect of Fermi Resonances on Spectra and Dynamics The Journal of Physical Chemistry A. 106: 10174-10183. DOI: 10.1021/Jp021442V |
0.461 |
|
| 2002 |
Xu D, Li G, Xie D, Guo H. Full-dimensional quantum calculations of vibrational energy levels of acetylene (HCCH) up to 13,000 cm−1 Chemical Physics Letters. 365: 480-486. DOI: 10.1016/S0009-2614(02)01503-8 |
0.465 |
|
| 2001 |
Xie D, Guo H, Peterson KA. Ab initio characterization of low-lying triplet state potential-energy surfaces and vibrational frequencies in the Wulf band of ozone Journal of Chemical Physics. 115: 10404-10408. DOI: 10.1063/1.1417502 |
0.418 |
|
| 2001 |
Li S, Li G, Guo H. A single Lanczos propagation method for calculating transition amplitudes. III. S-matrix elements with a complex-symmetric Hamiltonian The Journal of Chemical Physics. 115: 9637-9643. DOI: 10.1063/1.1413984 |
0.355 |
|
| 2001 |
Chen R, Ma G, Guo H. Six-dimensional quantum calculations of highly excited vibrational energy levels of hydrogen peroxide and its deuterated isotopomers The Journal of Chemical Physics. 114: 4763-4774. DOI: 10.1063/1.1348274 |
0.441 |
|
| 2001 |
Chen R, Guo H. A single Lanczos propagation method for calculating transition amplitudes. II. Modified QL and symmetry adaptation The Journal of Chemical Physics. 114: 1467-1472. DOI: 10.1063/1.1331356 |
0.353 |
|
| 2001 |
Xu D, Xie D, Guo H. A new ab initio potential energy surface of HCN(11A″) and the predissociative resonances of HCN and DCN Chemical Physics Letters. 345: 517-524. DOI: 10.1016/S0009-2614(01)00924-1 |
0.455 |
|
| 2000 |
Xie D, Guo H, Peterson KA. Accurate ab initio near-equilibrium potential energy and dipole moment functions of the ground electronic state of ozone The Journal of Chemical Physics. 112: 8378-8386. DOI: 10.1063/1.481442 |
0.448 |
|
| 2000 |
Xie D, Guo H, Amatatsu Y, Kosloff R. Three-dimensional photodissociation dynamics of rotational state selected methyl iodide Journal of Physical Chemistry A. 104: 1009-1019. DOI: 10.1021/Jp9932463 |
0.478 |
|
| 2000 |
Xie D, Guo H. Dynamics of rare gas desorption from Pt(111) induced by collisions with photogenerated hot oxygen atoms Surface Science. 447: 219-228. DOI: 10.1016/S0039-6028(99)01188-7 |
0.366 |
|
| 2000 |
Guo H, Ma G. Effect of vibrational relaxation on DIET: a density matrix treatment Surface Science. 451: 7-11. DOI: 10.1016/S0039-6028(00)00003-0 |
0.36 |
|
| 2000 |
Ma G, Guo H. Barrier crossing in a dissipative environment: a reduced density matrix treatment of STM-induced atom transfer dynamics Chemical Physics Letters. 317: 315-321. DOI: 10.1016/S0009-2614(99)01380-9 |
0.398 |
|
| 2000 |
Xie D, Guo H, Bludský O, Nachtigall P. Absorption and resonance emission spectra of SO2(X̃1A1/C̃1B2) calculated from ab initio potential energy and transition dipole moment surfaces Chemical Physics Letters. 329: 503-510. DOI: 10.1016/S0009-2614(00)01049-6 |
0.406 |
|
| 2000 |
Chen R, Ma G, Guo H. Full-dimensional quantum calculation of the vibrational energy levels of hydrogen peroxide (HOOH) Chemical Physics Letters. 320: 567-574. DOI: 10.1016/S0009-2614(00)00254-2 |
0.412 |
|
| 2000 |
Parsons B, Butler LJ, Xie D, Guo H. A combined experimental and theoretical study of resonance emission spectra of SO2(C̃ ) Chemical Physics Letters. 320: 499-506. DOI: 10.1016/S0009-2614(00)00253-0 |
0.365 |
|
| 1999 |
Chen R, Guo H. A single Lanczos propagation method for calculating transition amplitudes The Journal of Chemical Physics. 111: 9944-9951. DOI: 10.1063/1.480347 |
0.35 |
|
| 1999 |
Guo H, Ma G. Dissipative quantum dynamics in discrete energy representation: Photon-stimulated desorption of NO from metals The Journal of Chemical Physics. 111: 8595-8604. DOI: 10.1063/1.480220 |
0.396 |
|
| 1999 |
Xie D, Ma G, Guo H. Quantum calculations of highly excited vibrational spectrum of sulfur dioxide. III. Emission spectra from the C̃ 1B2 state The Journal of Chemical Physics. 111: 7782-7788. DOI: 10.1063/1.480113 |
0.435 |
|
| 1999 |
Chen R, Guo H, Skokov S, Bowman JM. Theoretical studies of rotation induced Fermi resonances in HOCl The Journal of Chemical Physics. 111: 7290-7297. DOI: 10.1063/1.480053 |
0.398 |
|
| 1999 |
Ma G, Guo H. Quantum calculations of highly excited vibrational spectrum of sulfur dioxide. II. Normal to local mode transition and quantum stochasticity The Journal of Chemical Physics. 111: 4032-4040. DOI: 10.1063/1.479705 |
0.455 |
|
| 1999 |
Ma G, Chen R, Guo H. Quantum calculations of highly excited vibrational spectrum of sulfur dioxide. I. Eigenenergies and assignments up to 15 000 cm−1 The Journal of Chemical Physics. 110: 8408-8416. DOI: 10.1063/1.478749 |
0.465 |
|
| 1999 |
Guo H, Saalfrank P, Seideman T. Theory of photoinduced surface reactions of admolecules Progress in Surface Science. 62: 239-303. DOI: 10.1016/S0079-6816(99)00013-1 |
0.402 |
|
| 1999 |
Chen R, Guo H. The Chebyshev propagator for quantum systems Computer Physics Communications. 119: 19-31. DOI: 10.1016/S0010-4655(98)00179-9 |
0.332 |
|
| 1999 |
Prosmiti R, Farantos S, Guo H. Assigning the transition from normal to local vibrational mode in SO2 by periodic orbits Chemical Physics Letters. 311: 241-247. DOI: 10.1016/S0009-2614(99)00850-7 |
0.626 |
|
| 1999 |
Chen R, Guo H. A low-storage filter-diagonalization method to calculate expectation values of operators non-commutative with the Hamiltonian: Vibrational assignment of HOCl Chemical Physics Letters. 308: 123-130. DOI: 10.1016/S0009-2614(99)00582-5 |
0.336 |
|
| 1999 |
Xie D, Guo H. A refined near-equilibrium potential energy surface and the absorption spectrum of OClO(Ã2A2) Chemical Physics Letters. 307: 109-116. DOI: 10.1016/S0009-2614(99)00494-7 |
0.446 |
|
| 1998 |
Chen R, Guo H, Liu L, Muckerman JT. Symmetry-adapted filter diagonalization: Calculation of the vibrational spectrum of planar acetylene from correlation functions Journal of Chemical Physics. 109: 7128-7136. DOI: 10.1063/1.477396 |
0.337 |
|
| 1998 |
Chen R, Guo H. Discrete energy representation and generalized propagation of physical systems The Journal of Chemical Physics. 108: 6068-6077. DOI: 10.1063/1.476017 |
0.351 |
|
| 1998 |
Guo H. An efficient method to calculate resonance Raman amplitudes via polynomial propagation Chemical Physics Letters. 289: 396-402. DOI: 10.1016/S0009-2614(98)00432-1 |
0.344 |
|
| 1998 |
Chen F, Guo H. Influence of the ground-state potential on the product rotational/translational correlation in the photon-stimulated desorption of NO Chemical Physics Letters. 286: 205-210. DOI: 10.1016/S0009-2614(98)00099-2 |
0.421 |
|
| 1997 |
Setzler JV, Bechtel J, Guo H, Schatz GC. A further theoretical exploration of the surface-aligned photo-initiated H+CO2 reaction: Surface motion and temperature dependence The Journal of Chemical Physics. 107: 9176-9184. DOI: 10.1063/1.475209 |
0.491 |
|
| 1997 |
Seideman T, Guo H. Theory of desorption induced by electronic transitions. II. The strong interaction regime Journal of Chemical Physics. 107: 8627-8636. DOI: 10.1063/1.475015 |
0.396 |
|
| 1997 |
Guo H. Two-dimensional wave packet studies of photon-stimulated desorption of NO from a metal surface induced by single and multiple electronic excitations The Journal of Chemical Physics. 106: 1967-1977. DOI: 10.1063/1.473333 |
0.462 |
|
| 1997 |
Setzler JV, Guo H, Schatz GC. Photoinitiated Reaction Dynamics between Aligned Adsorbates on Solid Surfaces: A Theoretical Exploration of the H + CO2System on LiF(001) The Journal of Physical Chemistry B. 101: 5352-5361. DOI: 10.1021/Jp970178G |
0.522 |
|
| 1997 |
Guo H, Liu L. Perturbative treatments of photo-stimulated desorption and dissociation on metal surfaces induced by single and multiple electronic transitions Surface Science. 372: 337-349. DOI: 10.1016/S0039-6028(96)01104-1 |
0.365 |
|
| 1997 |
Chen R, Guo H. Benchmark calculations of bound states of HO2 via basic Lanczos algorithm Chemical Physics Letters. 277: 191-198. DOI: 10.1016/S0009-2614(97)00907-X |
0.321 |
|
| 1997 |
Chen R, Guo H. Determination of Eigenstates via Lanczos-Based Forward Substitution and Filter-Diagonalization Journal of Computational Physics. 136: 494-502. DOI: 10.1006/Jcph.1997.5777 |
0.343 |
|
| 1996 |
Chen R, Guo H. Evolution of quantum system in order domain of Chebyshev operator The Journal of Chemical Physics. 105: 3569-3578. DOI: 10.1063/1.472228 |
0.338 |
|
| 1996 |
Chen R, Guo H. A general and efficient filter‐diagonalization method without time propagation The Journal of Chemical Physics. 105: 1311-1317. DOI: 10.1063/1.471997 |
0.302 |
|
| 1996 |
Liu L, Guo H, Seideman T. A coherent transition model for photodesorption from metals: NH3/Cu The Journal of Chemical Physics. 104: 8757-8767. DOI: 10.1063/1.471565 |
0.464 |
|
| 1996 |
Liu L, Guo H. Theoretical study of vibrational excitation of ammonia scattered from Cu Chemical Physics. 205: 179-190. DOI: 10.1016/0301-0104(95)00374-6 |
0.428 |
|
| 1996 |
Chen R, Guo H. An accurate spectral method with arbitrarily large time step sizes Chemical Physics Letters. 252: 201-205. DOI: 10.1016/0009-2614(96)00147-9 |
0.316 |
|
| 1995 |
Seideman T, Guo H. Photodissociation of HCl+/MgO(001): The static and dynamic effects of the surface The Journal of Chemical Physics. 103: 2745-2757. DOI: 10.1063/1.470509 |
0.467 |
|
| 1995 |
Guo H, Seideman T. Quantum mechanical studies of photodesorption of ammonia from a metal surface: Isotope effects, final state distributions, and desorption mechanisms Journal of Chemical Physics. 103: 9062-9073. DOI: 10.1063/1.470017 |
0.49 |
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