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Physical Chemistry Chemical Physics : PCCP|May 27, 2010
Kinetics of hydrogen-transfer isomerizations of butoxyl radicalsJingjing Zheng, Donald G TruhlarOrganic Letters|December 1, 2006
A density functional that accounts for medium-range correlation energies in organic chemistryYan Zhao, Donald G TruhlarJournal of Chemical Theory and Computation|November 19, 2015
What Dominates the Error in the CaO Diatomic Bond Energy Predicted by Various Approximate Exchange-Correlation Functionals?Haoyu Yu, Donald G TruhlarThe Journal of Physical Chemistry. A|July 11, 2008
Improved description of nuclear magnetic resonance chemical shielding constants using the M06-L meta-generalized-gradient-approximation density functionalYan Zhao, Donald G TruhlarOrganic Letters|April 13, 2007
Attractive noncovalent interactions in the mechanism of grubbs second-generation Ru catalysts for olefin metathesisYan Zhao, Donald G TruhlarJournal of Chemical Theory and Computation|July 23, 2020
Unmasking Static Correlation Error in Hybrid Kohn-Sham Density Functional TheoryDayou Zhang, Donald G TruhlarThe Journal of Chemical Physics|April 8, 2006
Direct calculation of coupled diabatic potential-energy surfaces for ammonia and mapping of a four-dimensional conical intersection seamShikha Nangia, Donald G TruhlarProceedings of the National Academy of Sciences of the United States of America|March 19, 2005
Quantum mechanical reaction rate constants by vibrational configuration interaction: the OH + H2->H2O + H reaction as a function of temperatureArindam Chakraborty, Donald G TruhlarPhysical Chemistry Chemical Physics : PCCP|September 29, 2005
How well can new-generation density functional methods describe stacking interactions in biological systems?Yan Zhao, Donald G TruhlarAnnual Review of Physical Chemistry|April 25, 2002
Quantum mechanical methods for enzyme kineticsJiali Gao, Donald G TruhlarPageof 64