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Journal of Chemical Theory and Computation|November 10, 2020
Comparison of Methods for Active Orbital Selection in Multiconfigurational CalculationsZsuzsanna Tóth, Peter PulayThe Journal of Chemical Physics|November 3, 2016
Finding symmetry breaking Hartree-Fock solutions: The case of triplet instabilityZsuzsanna Tóth, Peter PulayFogorvosi Szemle|July 26, 2012
[Full dental rehabilitation of a patient with implantable cardioverter defibrillator]Ildikó Imre, Zsuzsanna TóthThe Journal of Chemical Physics|September 3, 2015
Energy error bars in direct configuration interaction iteration sequenceZsuzsanna Tóth, Ágnes SzabadosInorganic Chemistry|April 13, 2004
Oxidation of chlorine(III) by hypobromous acid: kinetics and mechanismZsuzsanna Tóth, István FábiánJournal of Computational Chemistry|June 24, 2003
Assessment of the OLYP and O3LYP density functionals for first-row transition metalsJon Baker, Peter PulayJournal of Chemical Theory and Computation|December 2, 2015
Efficient Parallel Implementation of the CCSD External Exchange Operator and the Perturbative Triples (T) Energy CalculationTomasz Janowski, Peter PulayJournal of Computational Chemistry|July 13, 2002
An efficient parallel algorithm for the calculation of canonical MP2 energiesJon Baker, Peter PulayJournal of the American Chemical Society|August 31, 2006
The interpretation of compliance constants and their suitability for characterizing hydrogen bonds and other weak interactionsJon Baker, Peter PulayJournal of the American Chemical Society|September 27, 2012
A benchmark comparison of σ/σ and π/π dispersion: the dimers of naphthalene and decalin, and coronene and perhydrocoroneneTomasz Janowski, Peter PulayPageof 8