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Physical Chemistry Chemical Physics : PCCP|November 17, 2021
Potential energy surface for high-energy N + N2 collisionsZoltan Varga, Donald G TruhlarThe Journal of Chemical Physics|February 26, 2009
Calculation of semiconductor band gaps with the M06-L density functionalYan Zhao, Donald G TruhlarJournal of Chemical Theory and Computation|February 12, 2021
Spin-Orbit Coupling Changes the Identity of the Hyper-Open-Shell Ground State of Ce+, and the Bond Dissociation Energy of CeH+ Proves to Be Challenging for TheoryJiaxin Ning, Donald G TruhlarThe Journal of Chemical Physics|June 6, 2008
Construction of a generalized gradient approximation by restoring the density-gradient expansion and enforcing a tight Lieb-Oxford boundYan Zhao, Donald G TruhlarThe Journal of Chemical Physics|November 30, 2006
Nonadiabatic effects in C-Br bond scission in the photodissociation of bromoacetyl chlorideRosendo Valero, Donald G TruhlarThe Journal of Physical Chemistry. A|December 8, 2006
Density functional for spectroscopy: no long-range self-interaction error, good performance for Rydberg and charge-transfer states, and better performance on average than B3LYP for ground statesYan Zhao, Donald G TruhlarThe Journal of Physical Chemistry. A|July 13, 2006
Multicoefficient extrapolated density functional theory studies of pi...pi interactions: the benzene dimerYan Zhao, Donald G TruhlarJournal of the American Chemical Society|July 5, 2022
Simple Approximation for the Ideal Reference State of Gases Adsorbed on Solid-State SurfacesJingyun Ye, Donald G TruhlarJournal of the American Chemical Society|January 18, 2014
Large entropic effects on the thermochemistry of silicon nanodusty plasma constituentsPrasenjit Seal, Donald G TruhlarThe Journal of Physical Chemistry. A|August 19, 2007
A diabatic representation including both valence nonadiabatic interactions and spin-orbit effects for reaction dynamicsRosendo Valero, Donald G TruhlarPageof 64