Showing results (1-10 of 729) with videos related to
Sort By:
Pageof 73
Journal of Chemical Theory and Computation|November 27, 2015
Efficient Approach to Reactive Molecular Dynamics with Accurate ForcesMasahiro Higashi, Donald G TruhlarJournal of Chemical Theory and Computation|December 2, 2015
Electrostatically Embedded Multiconfiguration Molecular Mechanics Based on the Combined Density Functional and Molecular Mechanical MethodMasahiro Higashi, Donald G TruhlarJournal of Chemical Theory and Computation|December 5, 2015
Combined Electrostatically Embedded Multiconfiguration Molecular Mechanics and Molecular Mechanical Method: Application to Molecular Dynamics Simulation of a Chemical Reaction in Aqueous Solution with Hybrid Density Functional TheoryMasahiro Higashi, Donald G TruhlarThe Journal of Physical Chemistry. B|June 4, 2013
Concerted hydrogen atom and electron transfer mechanism for catalysis by lysine-specific demethylaseTao Yu, Masahiro Higashi, Alessandro Cembran, et al.Archives of Biochemistry and Biophysics|May 27, 2015
Transition state theory for enzyme kineticsDonald G TruhlarJournal of Computational Chemistry|October 24, 2006
Valence bond theory for chemical dynamicsDonald G TruhlarPhysical Chemistry Chemical Physics : PCCP|November 17, 2021
Potential energy surface for high-energy N + N<sub>2</sub> collisionsZoltan Varga, Donald G TruhlarThe Journal of Chemical Physics|April 10, 2012
Performance of the M11-L density functional for bandgaps and lattice constants of unary and binary semiconductorsRoberto Peverati, Donald G TruhlarThe Journal of Chemical Physics|February 26, 2009
Calculation of semiconductor band gaps with the M06-L density functionalYan Zhao, Donald G TruhlarPhilosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|February 12, 2014
Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physicsRoberto Peverati, Donald G TruhlarPageof 73