Richard Dawes - Publications

Affiliations: 
Chemistry Missouri University of Science and Technology, Rolla, MO, United States 

92 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
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  0.369
2021 Gancewski M, Jóźwiak H, Quintas-Sánchez E, Dawes R, Thibault F, Wcisło P. Fully quantum calculations of O-N scattering using a new potential energy surface: Collisional perturbations of the oxygen 118 GHz fine structure line. The Journal of Chemical Physics. 155: 124307. PMID 34598560 DOI: 10.1063/5.0063006  0.346
2021 Ndengué S, Quintas-Sánchez E, Dawes R, Osborn D. The Low-Lying Electronic States of NO: Potential Energy and Dipole Surfaces, Bound States, and Electronic Absorption Spectrum. The Journal of Physical Chemistry. A. PMID 34114826 DOI: 10.1021/acs.jpca.1c03482  0.477
2021 Bop CT, Quintas-Sánchez E, Sur S, Robin M, Lique F, Dawes R. Inelastic scattering in isotopologues of O-Ar: the effects of mass, symmetry, and density of states. Physical Chemistry Chemical Physics : Pccp. PMID 33666616 DOI: 10.1039/d1cp00326g  0.378
2020 Quintas-Sánchez E, Dawes R, Wang XG, Carrington T. Computational study of the rovibrational spectrum of CO-N. Physical Chemistry Chemical Physics : Pccp. PMID 33016299 DOI: 10.1039/D0Cp04186F  0.413
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  0.422
2020 Khalifa MB, Quintas-Sánchez E, Dawes R, Hammami K, Wiesenfeld L. Rotational quenching of an interstellar gas thermometer: CH3CN⋯He collisions Physical Chemistry Chemical Physics. 22: 17494-17502. PMID 32716451 DOI: 10.1039/D0Cp02985H  0.439
2020 Quintas-Sánchez E, Dawes R, Lee K, McCarthy MC. Automated Construction of Potential Energy Surfaces Suitable to Describe van der Waals Complexes With Highly-Excited Nascent Molecules: The Rotational Spectra of Ar-CS() and Ar-SiS(). The Journal of Physical Chemistry. A. PMID 32368913 DOI: 10.1021/Acs.Jpca.0C02685  0.461
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  0.46
2020 Sur S, Ndengué SA, Quintas-Sánchez E, Bop C, Lique F, Dawes R. Rotationally inelastic scattering of O-Ar: state-to-state rates with the multiconfigurational time dependent Hartree method. Physical Chemistry Chemical Physics : Pccp. PMID 31904066 DOI: 10.1039/C9Cp06501F  0.504
2019 Ndengué S, Scribano Y, Gatti F, Dawes R. State-to-state inelastic rotational cross sections in five-atom systems with the multiconfiguration time dependent Hartree method. The Journal of Chemical Physics. 151: 134301. PMID 31594314 DOI: 10.1063/1.5119381  0.507
2019 Castro-Juárez E, Wang XG, Carrington T, Quintas-Sánchez E, Dawes R. Computational study of the ro-vibrational spectrum of CO-CO. The Journal of Chemical Physics. 151: 084307. PMID 31470713 DOI: 10.1063/1.5119762  0.501
2019 Desrousseaux B, Quintas-Sánchez E, Dawes R, Lique F. Collisional Excitation of CF by H: Potential Energy Surface and Rotational Cross Sections. The Journal of Physical Chemistry. A. PMID 31339715 DOI: 10.1021/Acs.Jpca.9B05538  0.402
2019 Welch BK, Dawes R, Bross DH, Ruscic B. An Automated Thermochemistry Protocol Based on Explicitly Correlated Coupled-Cluster Theory: The Methyl and Ethyl Peroxy Families. The Journal of Physical Chemistry. A. PMID 31244124 DOI: 10.1021/Acs.Jpca.9B04381  0.314
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  0.513
2019 Sur S, Quintas-Sánchez E, Ndengué SA, Dawes R. Development of a potential energy surface for the O-Ar system: rovibrational states of the complex. Physical Chemistry Chemical Physics : Pccp. PMID 30892345 DOI: 10.1039/C9Cp01044K  0.559
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  0.434
2019 Faure A, Dagdigian PJ, Rist C, Dawes R, Quintas-Sánchez E, Lique F, Hochlaf M. Interaction of Chiral Propylene Oxide (CH3CHCH2O) with Helium: Potential Energy Surface and Scattering Calculations Acs Earth and Space Chemistry. 3: 964-972. DOI: 10.1021/Acsearthspacechem.9B00069  0.448
2019 Ndengué SA, Scribano Y, Benoit DM, Gatti F, Dawes R. Intermolecular rovibrational bound states of H2O–H2 dimer from a multiconfiguration time dependent Hartree approach Chemical Physics Letters. 715: 347-353. DOI: 10.1016/J.Cplett.2018.11.035  0.462
2018 Quintas-Sánchez E, Dawes R. AUTOSURF: A Freely Available Program to Construct Potential Energy Surfaces. Journal of Chemical Information and Modeling. PMID 30576134 DOI: 10.1021/Acs.Jcim.8B00784  0.405
2018 McCarthy MC, Ndengué SA, Dawes R. The rotational spectrum and potential energy surface of the Ar-SiO complex. The Journal of Chemical Physics. 149: 134308. PMID 30292225 DOI: 10.1063/1.5048202  0.449
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  0.513
2018 Barclay AJ, McKellar ARW, Moazzen-Ahmadi N, Dawes R, Wang XG, Carrington T. Infrared spectrum and intermolecular potential energy surface of the CO-O dimer. Physical Chemistry Chemical Physics : Pccp. PMID 29781029 DOI: 10.1039/C8Cp02282H  0.512
2018 Cybulski H, Henriksen C, Dawes R, Wang XG, Bora N, Avila G, Carrington T, Fernández B. Ab initio study of the CO-N complex: a new highly accurate intermolecular potential energy surface and rovibrational spectrum. Physical Chemistry Chemical Physics : Pccp. PMID 29696291 DOI: 10.1039/C8Cp01373J  0.483
2018 Nyambo S, Uhler B, Muzangwa L, Ivanov M, Welch BK, Dawes R, Reid SA. Reactive pathways in the bromobenzene-ammonia dimer cation radical: Evidence for a roaming halogen radical Journal of Molecular Structure. 1172: 113-118. DOI: 10.1016/J.Molstruc.2017.11.122  0.377
2018 Dawes R, Quintas‐Sánchez E. The Construction Of Ab Initio‐Based Potential Energy Surfaces Reviews in Computational Chemistry. 199-263. DOI: 10.1002/9781119518068.Ch5  0.403
2017 Powell AD, Dattani NS, Spada RFK, Machado FBC, Lischka H, Dawes R. Investigation of the ozone formation reaction pathway: Comparisons of full configuration interaction quantum Monte Carlo and fixed-node diffusion Monte Carlo with contracted and uncontracted MRCI. The Journal of Chemical Physics. 147: 094306. PMID 28886655 DOI: 10.1063/1.4990673  0.44
2017 Ndengué S, Dawes R, Gatti F, Meyer H. Atom-triatom rigid rotor inelastic scattering with the MultiConfiguration Time Dependent Hartree approach Chemical Physics Letters. 668: 42-46. DOI: 10.1016/J.Cplett.2016.12.012  0.377
2016 Powell AD, Dawes R. Calculating potential energy curves with fixed-node diffusion Monte Carlo: CO and N2. The Journal of Chemical Physics. 145: 224308. PMID 27984913 DOI: 10.1063/1.4971378  0.368
2016 Huang M, Miller TA, Kline ND, Dawes R. Studies via Near-IR Cavity Ringdown Spectroscopy and Electronic Structure Calculations of the Products of the Photolysis of Dihalomethane/N2/O2 Mixtures. The Journal of Physical Chemistry. A. PMID 27978619 DOI: 10.1021/Acs.Jpca.6B10632  0.465
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  0.491
2016 Walker KM, Dumouchel F, Lique F, Dawes R. The first potential energy surfaces for the C6H(-)-H2 and C6H(-)-He collisional systems and their corresponding inelastic cross sections. The Journal of Chemical Physics. 145: 024314. PMID 27421412 DOI: 10.1063/1.4955200  0.4
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  0.527
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  0.512
2016 Dawes R, Ndengué SA. Single- and multireference electronic structure calculations for constructing potential energy surfaces International Reviews in Physical Chemistry. 35: 441-478. DOI: 10.1080/0144235X.2016.1195102  0.46
2016 Lolur P, Dawes R, Heaven MC. Theoretical study of vibronic perturbations in magnesium carbide Molecular Physics. 114: 162-171. DOI: 10.1080/00268976.2015.1087601  0.759
2016 Donoghue G, Wang X, Dawes R, Carrington T. Computational study of the rovibrational spectra of CO2–C2H2 and CO2–C2D2 Journal of Molecular Spectroscopy. 330: 170-178. DOI: 10.1016/J.Jms.2016.06.012  0.415
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  0.467
2015 Ndengué SA, Dawes R, Gatti F, Meyer HD. Resonances of HCO Computed Using an Approach Based on the Multiconfiguration Time-Dependent Hartree Method. The Journal of Physical Chemistry. A. PMID 26070014 DOI: 10.1021/Acs.Jpca.5B04642  0.409
2015 Nyambo S, Karshenas C, Reid SA, Lolur P, Dawes R. Towards a global model of spin-orbit coupling in the halocarbenes. The Journal of Chemical Physics. 142: 214304. PMID 26049493 DOI: 10.1063/1.4921466  0.735
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  0.386
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  0.457
2015 Ndengué SA, Dawes R, Gatti F. Rotational Excitations in CO-CO Collisions at Low Temperature: Time-Independent and Multiconfigurational Time-Dependent Hartree Calculations. The Journal of Physical Chemistry. A. 119: 7712-23. PMID 25867047 DOI: 10.1021/Acs.Jpca.5B01022  0.461
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  0.49
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  0.447
2015 Majumder M, Ndengue SA, Dawes R. Automated construction of potential energy surfaces Molecular Physics. DOI: 10.1080/00268976.2015.1096974  0.428
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  0.415
2015 Manzhos S, Dawes R, Carrington T. Neural network-based approaches for building high dimensional and quantum dynamics-friendly potential energy surfaces International Journal of Quantum Chemistry. 115: 1012-1020. DOI: 10.1002/Qua.24795  0.38
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  0.499
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  0.478
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  0.439
2014 Kalume A, George L, Powell AD, Dawes R, Reid SA. Photoinduced electron transfer in donor-acceptor complexes of ethylene with molecular and atomic iodine. The Journal of Physical Chemistry. A. 118: 6838-45. PMID 25075444 DOI: 10.1021/Jp412212H  0.312
2014 Brown J, Wang XG, Carrington T, Grubbs GS, Dawes R. Computational study of the rovibrational spectrum of CO₂-CS₂. The Journal of Chemical Physics. 140: 114303. PMID 24655176 DOI: 10.1063/1.4867792  0.5
2014 Lolur P, Dawes R. 3D Printing of Molecular Potential Energy Surface Models Journal of Chemical Education. 91: 1181-1184. DOI: 10.1021/Ed500199M  0.721
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  0.778
2013 Jasper AW, Dawes R. Non-Born-Oppenheimer molecular dynamics of the spin-forbidden reaction O(3P) + CO(X(1)Σ+) → CO2(X̃(1)Σg(+)). The Journal of Chemical Physics. 139: 154313. PMID 24160519 DOI: 10.1063/1.4825204  0.498
2013 Perry JW, Dawes R, Wagner AF, Thompson DL. A classical trajectory study of the intramolecular dynamics, isomerization, and unimolecular dissociation of HO2. The Journal of Chemical Physics. 139: 084319. PMID 24007009 DOI: 10.1063/1.4818879  0.502
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  0.498
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  0.496
2013 Dawes R, Wang XG, Carrington T. CO dimer: new potential energy surface and rovibrational calculations. The Journal of Physical Chemistry. A. 117: 7612-30. PMID 23738948 DOI: 10.1021/Jp404888D  0.488
2013 Perry JW, Dawes R, Wagner AF, Thompson DL. Publisher's Note: “A classical trajectory study of the intramolecular dynamics, isomerization, and unimolecular dissociation of HO2” [J. Chem. Phys.139, 084319 (2013)] Journal of Chemical Physics. 139: 159903. DOI: 10.1063/1.4826557  0.338
2012 Barker BJ, Antonov IO, Merritt JM, Bondybey VE, Heaven MC, Dawes R. Experimental and theoretical studies of the electronic transitions of BeC. The Journal of Chemical Physics. 137: 214313. PMID 23231237 DOI: 10.1063/1.4768548  0.496
2012 Tao C, Richmond CA, Mukarakate C, Kable SH, Bacskay GB, Brown EC, Dawes R, Lolur P, Reid SA. Spectroscopy and dynamics of the predissociated, quasi-linear S2 state of chlorocarbene. The Journal of Chemical Physics. 137: 104307. PMID 22979859 DOI: 10.1063/1.4748972  0.755
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  0.498
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  0.419
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  0.508
2012 Brown J, Wang XG, Dawes R, Carrington T. Computational study of the rovibrational spectrum of (OCS)2. The Journal of Chemical Physics. 136: 134306. PMID 22482551 DOI: 10.1016/j.jms.2016.08.006  0.385
2012 Thangavel A, Sotiriou-Leventis C, Dawes R, Leventis N. Orientation of pyrylium guests in cucurbituril hosts. The Journal of Organic Chemistry. 77: 2263-71. PMID 22339810 DOI: 10.1021/Jo202434Z  0.328
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  0.469
2011 Dawes R, Dwyer JR, Qu W, Gough KM. QTAIM investigation of the electronic structure and large Raman scattering intensity of bicyclo-[1.1.1]-pentane. The Journal of Physical Chemistry. A. 115: 13149-57. PMID 21942817 DOI: 10.1021/Jp205658Z  0.34
2011 Richmond C, Tao C, Mukarakate C, Dawes R, Brown EC, Kable SH, Reid SA. Optical-optical double resonance spectroscopy of the quasi-linear S2 state of CHF and CDF. II. Predissociation and mode-specific dynamics. The Journal of Chemical Physics. 135: 104316. PMID 21932902 DOI: 10.1063/1.3633772  0.514
2011 Tao C, Richmond C, Mukarakate C, Dawes R, Kable SH, Reid SA. Optical-optical double resonance spectroscopy of the quasi-linear S2 state of CHF and CDF. I. Spectroscopic analysis. The Journal of Chemical Physics. 135: 104315. PMID 21932901 DOI: 10.1063/1.3633724  0.484
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  0.738
2011 Wang XG, Carrington T, Dawes R, Jasper AW. The vibration-rotation-tunneling spectrum of the polar and T-shaped-N-in isomers of (NNO)2 Journal of Molecular Spectroscopy. 268: 53-65. DOI: 10.1016/J.Jms.2011.03.017  0.433
2011 Sivaramakrishnan R, Michael JV, Wagner AF, Dawes R, Jasper AW, Harding LB, Georgievskii Y, Klippenstein SJ. Roaming radicals in the thermal decomposition of dimethyl ether: Experiment and theory Combustion and Flame. 158: 618-632. DOI: 10.1016/J.Combustflame.2010.12.017  0.357
2010 Siavosh-Haghighi A, Dawes R, Sewell TD, Thompson DL. A molecular dynamics study of classical vibrational spectra in hydrostatically compressed crystalline nitromethane. The Journal of Physical Chemistry. B. 114: 17177-86. PMID 21138330 DOI: 10.1021/Jp109106K  0.314
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  0.541
2010 Dawes R, Wang XG, Jasper AW, Carrington T. Nitrous oxide dimer: a new potential energy surface and rovibrational spectrum of the nonpolar isomer. The Journal of Chemical Physics. 133: 134304. PMID 20942536 DOI: 10.1063/1.3494542  0.474
2010 Dawes R, Jasper AW, Tao C, Richmond C, Mukarakate C, Kableand SH, Reid SA. Theoretical and experimental spectroscopy of the S2 state of CHF and CDF: Dynamically weighted multireference configuration interaction calculations for high-lying electronic states Journal of Physical Chemistry Letters. 1: 641-646. DOI: 10.1021/Jz900380A  0.532
2010 Binder AJ, Dawes R, Jasper AW, Camden JP. The role of excited electronic states in hypervelocity collisions: Enhancement of the O(3P) + HCl → OCl + H reaction channel Journal of Physical Chemistry Letters. 1: 2940-2945. DOI: 10.1021/Jz1011059  0.507
2009 Dawes R, Siavosh-Haghighi A, Sewell TD, Thompson DL. Shock-induced melting of (100)-oriented nitromethane: Energy partitioning and vibrational mode heating. The Journal of Chemical Physics. 131: 224513. PMID 20001063 DOI: 10.1063/1.3271349  0.365
2009 Siavosh-Haghighi A, Dawes R, Sewell TD, Thompson DL. Shock-induced melting of (100)-oriented nitromethane: structural relaxation. The Journal of Chemical Physics. 131: 064503. PMID 19691393 DOI: 10.1063/1.3202441  0.326
2009 Dawes R, Wagner AF, Thompson DL. Ab initio wavenumber accurate spectroscopy: 1CH2 and HCN vibrational levels on automatically generated IMLS potential energy surfaces. The Journal of Physical Chemistry. A. 113: 4709-21. PMID 19371124 DOI: 10.1021/Jp900409R  0.426
2009 Camden JP, Dawes R, Thompson DL. Application of interpolating moving least squares fitting to hypervelocity collision dynamics: O(3P) + HCl. The Journal of Physical Chemistry. A. 113: 4626-30. PMID 19371121 DOI: 10.1021/Jp8113144  0.487
2009 Dawes R, Passalacqua A, Wagner AF, Sewell TD, Minkoff M, Thompson DL. Interpolating moving least-squares methods for fitting potential energy surfaces: using classical trajectories to explore configuration space. The Journal of Chemical Physics. 130: 144107. PMID 19368429 DOI: 10.1063/1.3111261  0.457
2008 Dawes R, Thompson DL, Wagner AF, Minkoff M. Interpolating moving least-squares methods for fitting potential energy surfaces: a strategy for efficient automatic data point placement in high dimensions. The Journal of Chemical Physics. 128: 084107. PMID 18315033 DOI: 10.1063/1.2831790  0.419
2007 Dawes R, Thompson DL, Guo Y, Wagner AF, Minkoff M. Interpolating moving least-squares methods for fitting potential energy surfaces: computing high-density potential energy surface data from low-density ab initio data points. The Journal of Chemical Physics. 126: 184108. PMID 17508793 DOI: 10.1063/1.2730798  0.413
2006 Manzhos S, Wang X, Dawes R, Carrington T. A nested molecule-independent neural network approach for high-quality potential fits. The Journal of Physical Chemistry. A. 110: 5295-304. PMID 16623455 DOI: 10.1021/Jp055253Z  0.384
2006 Dawes R, Carrington T. Using simultaneous diagonalization and trace minimization to make an efficient and simple multidimensional basis for solving the vibrational Schrodinger equation. The Journal of Chemical Physics. 124: 054102. PMID 16468846 DOI: 10.1063/1.2162168  0.362
2005 Dawes R, Carrington T. How to choose one-dimensional basis functions so that a very efficient multidimensional basis may be extracted from a direct product of the one-dimensional functions: energy levels of coupled systems with as many as 16 coordinates. The Journal of Chemical Physics. 122: 134101. PMID 15847449 DOI: 10.1063/1.1863935  0.364
2004 Dawes R, Carrington T. A multidimensional discrete variable representation basis obtained by simultaneous diagonalization. The Journal of Chemical Physics. 121: 726-36. PMID 15260599 DOI: 10.1063/1.1758941  0.314
2000 Gough KM, Dwyer JR, Dawes R. Ab initio analysis of C—H and C—C stretching intensities in Raman spectra of hydrocarbons Canadian Journal of Chemistry. 78: 1035-1043. DOI: 10.1139/V00-098  0.325
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