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The Journal of Chemical Physics|June 2, 2014
Quantum mechanical force field for hydrogen fluoride with explicit electronic polarizationMichael J M Mazack, Jiali GaoJournal of Chemical Theory and Computation|January 19, 2011
Internal Dynamics of a Coarse-Grained Protein Using Analytical Harmonic RepresentationMichael J M Mazack, Alessandro Cembran, Jiali GaoThe Journal of Chemical Physics|August 10, 2013
Quantum mechanical force field for water with explicit electronic polarizationJaebeom Han, Michael J M Mazack, Peng Zhang, et al.Accounts of Chemical Research|August 8, 2014
Explicit polarization: a quantum mechanical framework for developing next generation force fieldsJiali Gao, Donald G Truhlar, Yingjie Wang, et al.Science China. Chemistry|August 27, 2013
Computation of kinetic isotope effects for enzymatic reactionsJiali GaoCurrent Opinion in Structural Biology|May 3, 2003
Catalysis by enzyme conformational change as illustrated by orotidine 5'-monophosphate decarboxylaseJiali GaoJournal of Chemical Theory and Computation|December 4, 2015
Solvatochromic Shifts of the n → π* Transition of Acetone from Steam Vapor to Ambient Aqueous Solution: A Combined Configuration Interaction QM/MM Simulation Study Incorporating Solvent PolarizationLin, Jiali GaoJournal of Chemical Theory and Computation|November 8, 2022
Fundamental Variable and Density Representation in Multistate DFT for Excited StatesYangyi Lu, Jiali GaoThe Journal of Physical Chemistry. A|October 3, 2008
On the construction of diabatic and adiabatic potential energy surfaces based on ab initio valence bond theoryLingchun Song, Jiali GaoAccounts of Chemical Research|February 21, 2007
Theoretical analysis of the rotational barrier of ethaneYirong Mo, Jiali GaoPageof 25