Year |
Citation |
Score |
2023 |
Han B, Isborn CM, Shi L. Incorporating Polarization and Charge Transfer into a Point-Charge Model for Water Using Machine Learning. The Journal of Physical Chemistry Letters. 3869-3877. PMID 37067482 DOI: 10.1021/acs.jpclett.3c00036 |
0.645 |
|
2022 |
Abou Taka A, Lu SY, Gowland D, Zuehlsdorff TJ, Corzo HH, Pribram-Jones A, Shi L, Hratchian HP, Isborn CM. Comparison of Linear Response Theory, Projected Initial Maximum Overlap Method, and Molecular Dynamics-Based Vibronic Spectra: The Case of Methylene Blue. Journal of Chemical Theory and Computation. PMID 35472264 DOI: 10.1021/acs.jctc.1c01127 |
0.76 |
|
2021 |
Lu SY, Zuehlsdorff TJ, Hong H, Aguirre VP, Isborn CM, Shi L. The Influence of Electronic Polarization on Nonlinear Optical Spectroscopy. The Journal of Physical Chemistry. B. PMID 34726915 DOI: 10.1021/acs.jpcb.1c05914 |
0.776 |
|
2021 |
Han B, Isborn CM, Shi L. Determining Partial Atomic Charges for Liquid Water: Assessing Electronic Structure and Charge Models. Journal of Chemical Theory and Computation. PMID 33405925 DOI: 10.1021/acs.jctc.0c01102 |
0.659 |
|
2021 |
Zuehlsdorff TJ, Shedge SV, Lu SY, Hong H, Aguirre VP, Shi L, Isborn CM. Vibronic and Environmental Effects in Simulations of Optical Spectroscopy. Annual Review of Physical Chemistry. PMID 33395546 DOI: 10.1146/annurev-physchem-090419-051350 |
0.761 |
|
2020 |
Farahvash A, Lee CK, Sun Q, Shi L, Willard AP. Machine learning Frenkel Hamiltonian parameters to accelerate simulations of exciton dynamics. The Journal of Chemical Physics. 153: 074111. PMID 32828098 DOI: 10.1063/5.0016009 |
0.653 |
|
2020 |
Zuehlsdorff TJ, Hong H, Shi L, Isborn CM. Nonlinear spectroscopy in the condensed phase: The role of Duschinsky rotations and third order cumulant contributions. The Journal of Chemical Physics. 153: 044127. PMID 32752702 DOI: 10.1063/5.0013739 |
0.684 |
|
2019 |
Zuehlsdorff TJ, Hong H, Shi L, Isborn CM. The Influence of Electronic Polarization on the Spectral Density. The Journal of Physical Chemistry. B. PMID 31880454 DOI: 10.1021/Acs.Jpcb.9B10250 |
0.688 |
|
2019 |
Pein BC, Lee CK, Shi L, Shi J, Chang W, Hwang HY, Scherer J, Coropceanu I, Zhao X, Zhang X, Bulovic V, Bawendi MG, Willard AP, Nelson KA. Terahertz-Driven Stark Spectroscopy of CdSe and CdSe:CdS Core:Shell Quantum Dots. Nano Letters. PMID 31635457 DOI: 10.1021/Acs.Nanolett.9B03342 |
0.623 |
|
2019 |
Hestand NJ, Strong SE, Shi L, Skinner JL. Mid-IR spectroscopy of supercritical water: From dilute gas to dense fluid. The Journal of Chemical Physics. 150: 054505. PMID 30736686 DOI: 10.1063/1.5079232 |
0.775 |
|
2018 |
Shi L, Willard AP. Modeling the effects of molecular disorder on the properties of Frenkel excitons in organic molecular semiconductors. The Journal of Chemical Physics. 149: 094110. PMID 30195311 DOI: 10.1063/1.5044553 |
0.664 |
|
2018 |
Strong SE, Shi L, Skinner JL. Percolation in supercritical water: Do the Widom and percolation lines coincide? The Journal of Chemical Physics. 149: 084504. PMID 30193507 DOI: 10.1063/1.5042556 |
0.571 |
|
2018 |
Lee CK, Shi L, Willard AP. Modeling the Influence of Correlated Molecular Disorder on the Dynamics of Excitons in Organic Molecular Semiconductors The Journal of Physical Chemistry C. 123: 306-314. DOI: 10.1021/Acs.Jpcc.8B11504 |
0.641 |
|
2017 |
Shi L, Lee CK, Willard AP. The Enhancement of Interfacial Exciton Dissociation by Energetic Disorder Is a Nonequilibrium Effect. Acs Central Science. 3: 1262-1270. PMID 29296666 DOI: 10.1021/Acscentsci.7B00404 |
0.639 |
|
2016 |
Lee CK, Shi L, Willard AP. A Model of Charge Transfer Excitons: Diffusion, Spin Dynamics, and Magnetic Field Effects. The Journal of Physical Chemistry Letters. PMID 27237448 DOI: 10.1021/Acs.Jpclett.6B00871 |
0.636 |
|
2016 |
Wong A, Shi L, Auchettl R, McNaughton D, Appadoo DR, Robertson EG. Heavy snow: IR spectroscopy of isotope mixed crystalline water ice. Physical Chemistry Chemical Physics : Pccp. PMID 26812598 DOI: 10.1039/C5Cp06756A |
0.365 |
|
2016 |
Shi L, Skinner JL, Jansen TL. Two-dimensional infrared spectroscopy of neat ice Ih. Physical Chemistry Chemical Physics : Pccp. PMID 26765972 DOI: 10.1039/C5Cp07264F |
0.602 |
|
2015 |
Tainter CJ, Shi L, Skinner JL. Reparametrized E3B (Explicit Three-Body) Water Model Using the TIP4P/2005 Model as a Reference. Journal of Chemical Theory and Computation. 11: 2268-77. PMID 26574425 DOI: 10.1021/Acs.Jctc.5B00117 |
0.777 |
|
2015 |
Deotare PB, Chang W, Hontz E, Congreve DN, Shi L, Reusswig PD, Modtland B, Bahlke ME, Lee CK, Willard AP, Bulović V, Van Voorhis T, Baldo MA. Nanoscale transport of charge-transfer states in organic donor-acceptor blends. Nature Materials. PMID 26413986 DOI: 10.1038/Nmat4424 |
0.609 |
|
2015 |
Shi L, Skinner JL. Mixed quantum/classical approach to OH-stretch inelastic incoherent neutron scattering spectroscopy for ambient and supercooled liquid water and ice Ih. The Journal of Chemical Physics. 143: 014503. PMID 26156484 DOI: 10.1063/1.4923387 |
0.62 |
|
2015 |
Shi L, Skinner JL. Mixed quantum/classical approach to OH-stretch inelastic incoherent neutron scattering spectroscopy for ambient and supercooled liquid water and ice Ih Journal of Chemical Physics. 143. DOI: 10.1063/1.4923387 |
0.518 |
|
2015 |
Tainter CJ, Shi L, Skinner JL. Reparametrized E3B (explicit three-body) water model using the TIP4P/2005 model as a reference Journal of Chemical Theory and Computation. 11: 2268-2277. DOI: 10.1021/acs.jctc.5b00117 |
0.764 |
|
2014 |
Shi L, Ni Y, Drews SE, Skinner JL. Dielectric constant and low-frequency infrared spectra for liquid water and ice Ih within the E3B model. The Journal of Chemical Physics. 141: 084508. PMID 25173022 DOI: 10.1063/1.4893792 |
0.621 |
|
2014 |
Shi L, Li F, Skinner JL. Resonant vibrational energy transfer in ice Ih. The Journal of Chemical Physics. 140: 244503. PMID 24985650 DOI: 10.1063/1.4883913 |
0.658 |
|
2014 |
Tainter CJ, Shi L, Skinner JL. Structure and OH-stretch spectroscopy of low- and high-density amorphous ices. The Journal of Chemical Physics. 140: 134503. PMID 24712797 DOI: 10.1063/1.4869293 |
0.775 |
|
2013 |
Gruenbaum SM, Tainter CJ, Shi L, Ni Y, Skinner JL. Robustness of Frequency, Transition Dipole, and Coupling Maps for Water Vibrational Spectroscopy. Journal of Chemical Theory and Computation. 9: 3109-17. PMID 26583990 DOI: 10.1021/Ct400292Q |
0.788 |
|
2013 |
Tainter CJ, Ni Y, Shi L, Skinner JL. Hydrogen Bonding and OH-Stretch Spectroscopy in Water: Hexamer (Cage), Liquid Surface, Liquid, and Ice. The Journal of Physical Chemistry Letters. 4: 12-7. PMID 26291204 DOI: 10.1021/Jz301780K |
0.775 |
|
2013 |
Shi L, Skinner JL. Proton disorder in ice Ih and inhomogeneous broadening in two-dimensional infrared spectroscopy. The Journal of Physical Chemistry. B. 117: 15536-44. PMID 23937451 DOI: 10.1021/Jp405860U |
0.567 |
|
2013 |
Tainter CJ, Ni Y, Shi L, Skinner JL. Hydrogen bonding and oh-stretch spectroscopy in water: Hexamer (Cage), liquid surface, liquid, and ice Journal of Physical Chemistry Letters. 4: 12-17. DOI: 10.1021/jz301780k |
0.774 |
|
2013 |
Gruenbaum SM, Tainter CJ, Shi L, Ni Y, Skinner JL. Robustness of frequency, transition dipole, and coupling maps for water vibrational spectroscopy Journal of Chemical Theory and Computation. 9: 3109-3117. DOI: 10.1021/ct400292q |
0.769 |
|
2012 |
Shi L, Gruenbaum SM, Skinner JL. Interpretation of IR and Raman line shapes for H2O and D2O ice Ih. The Journal of Physical Chemistry. B. 116: 13821-30. PMID 23057540 DOI: 10.1021/Jp3059239 |
0.524 |
|
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