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Liang Shi - Publications

Affiliations: 
University of California, Merced, Merced, CA, United States 
Area:
Theoretical and Computational Chemistry
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31 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
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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