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Angewandte Chemie (International Ed. in English)|June 9, 2016
Oxidation State 10 ExistsHaoyu S Yu, Donald G TruhlarChemical Society Reviews|November 23, 2017
Variational transition state theory: theoretical framework and recent developmentsJunwei Lucas Bao, Donald G TruhlarThe Journal of Physical Chemistry. A|June 11, 2008
Assessment of new meta and hybrid meta density functionals for predicting the geometry and binding energy of a challenging system: the dimer of H2S and benzeneHannah R Leverentz, Donald G TruhlarThe Journal of Chemical Physics|February 17, 2017
Full-dimensional ground- and excited-state potential energy surfaces and state couplings for photodissociation of thioanisoleShaohong L Li, Donald G TruhlarJournal of Chemical Theory and Computation|August 15, 2019
Automatic Active Space Selection for Calculating Electronic Excitation Energies Based on High-Spin Unrestricted Hartree-Fock OrbitalsJie J Bao, Donald G TruhlarAccounts of Chemical Research|June 3, 2008
A universal approach to solvation modelingChristopher J Cramer, Donald G TruhlarJournal of the American Chemical Society|February 16, 2026
Automerization of Cyclobutadiene: Multiconfiguration Pair-Density Functional Theory Gives High Accuracy Where Unrestricted Kohn-Sham Density Functional Theory Does NotAiswarya M Parameswaran, Donald G TruhlarThe Journal of Chemical Physics|August 27, 2005
Electronic decoherence time for non-Born-Oppenheimer trajectoriesAhren W Jasper, Donald G TruhlarPhysical Chemistry Chemical Physics : PCCP|November 20, 2009
Density functional theory for transition metals and transition metal chemistryChristopher J Cramer, Donald G TruhlarPhysical Chemistry Chemical Physics : PCCP|December 5, 2018
Effect of energy dependence of the density of states on pressure-dependent rate constantsJunwei Lucas Bao, Donald G TruhlarPageof 1,194