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The Journal of Chemical Physics|September 16, 2004
A semiempirical generalized gradient approximation exchange-correlation functionalThomas W Keal, David J TozerJournal of Chemical Theory and Computation|November 30, 2018
Simple DFT Scheme for Estimating Negative Electron AffinitiesChristopher P Vibert, David J TozerPhysical Chemistry Chemical Physics : PCCP|May 8, 2010
Effect of chemical change on TDDFT accuracy: orbital overlap perspective of the hydrogenation of retinalAustin D Dwyer, David J TozerThe Journal of Chemical Physics|July 17, 2015
System-dependent exchange-correlation functional with exact asymptotic potential and εHOMO ≈ - IJonathan D Gledhill, David J TozerThe Journal of Chemical Physics|March 3, 2005
Ground- and excited-state diatomic bond lengths, vibrational levels, and potential-energy curves from conventional and localized Hartree-Fock-based density-functional theoryAndrew M Teale, David J TozerThe Journal of Chemical Physics|November 4, 2011
Dispersion, static correlation, and delocalisation errors in density functional theory: an electrostatic theorem perspectiveAustin D Dwyer, David J TozerJournal of Chemical Theory and Computation|January 3, 2022
Incorporation of the Fermi-Amaldi Term into Direct Energy Kohn-Sham CalculationsDaisy J Dillon, David J TozerThe Journal of Chemical Physics|January 6, 2006
Semiempirical hybrid functional with improved performance in an extensive chemical assessmentThomas W Keal, David J TozerPhysical Chemistry Chemical Physics : PCCP|September 28, 2005
Exchange methods in Kohn-Sham theoryAndrew M Teale, David J TozerThe Journal of Physical Chemistry. A|April 14, 2006
Study of molecular quantum similarity of enantiomers of amino acidsGreet Boon, Christian Van Alsenoy, Frank De Proft, et al.Pageof 26