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The Journal of Physical Chemistry. A|December 18, 2012
Assessment and validation of density functional approximations for iron carbide and iron carbide cationRuifang Li, Roberto Peverati, Miho Isegawa, et al.Journal of Chemical Theory and Computation|November 24, 2015
Benchmark Database for Ylidic Bond Dissociation Energies and Its Use for Assessments of Electronic Structure MethodsYan Zhao, Hou T Ng, Roberto Peverati, 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 TruhlarJournal of Chemical Theory and Computation|December 4, 2015
Implementation and Optimization of DFT-D/COSab with Respect to Basis Set and Functional: Application to Polar Processes of Furfural Derivatives in SolutionRoberto Peverati, Kim K BaldridgeJournal of Chemical Theory and Computation|December 2, 2015
Implementation and Performance of DFT-D with Respect to Basis Set and Functional for Study of Dispersion Interactions in Nanoscale Aromatic HydrocarbonsRoberto Peverati, Kim K BaldridgePhysical Chemistry Chemical Physics : PCCP|August 22, 2019
Statistically representative databases for density functional theory via data sciencePierpaolo Morgante, Roberto PeveratiJournal of Computational Chemistry|December 25, 2018
ACCDB: A collection of chemistry databases for broad computational purposesPierpaolo Morgante, Roberto PeveratiMolecules (Basel, Switzerland)|April 28, 2023
Comparison of the Performance of Density Functional Methods for the Description of Spin States and Binding Energies of PorphyrinsPierpaolo Morgante, Roberto PeveratiThe Journal of Chemical Physics|July 19, 2013
Orbital optimized double-hybrid density functionalsRoberto Peverati, Martin Head-GordonPageof 64