Showing results (1-10 of 1,118) with videos related to
Sort By:
Pageof 112
The Journal of Physical Chemistry. A|April 30, 2025
Introduction to Relativistic Electronic Structure CalculationsDonald G Truhlar, Xiaosong LiArchives 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 TruhlarJournal of Chemical Theory and Computation|February 12, 2021
Spin-Orbit Coupling Changes the Identity of the Hyper-Open-Shell Ground State of Ce<sup>+</sup>, and the Bond Dissociation Energy of CeH<sup>+</sup> 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 TruhlarPhysical Chemistry Chemical Physics : PCCP|August 23, 2012
An improved and broadly accurate local approximation to the exchange-correlation density functional: the MN12-L functional for electronic structure calculations in chemistry and physicsRoberto Peverati, Donald G TruhlarPageof 112