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The Journal of Chemical Physics|June 22, 2007
Computing Fukui functions without differentiating with respect to electron number. I. FundamentalsPaul W Ayers, Frank De Proft, Alex Borgoo, et al.The Journal of Physical Chemistry. A|January 9, 2010
Alternative Kullback-Leibler information entropy for enantiomersSara Janssens, Patrick Bultinck, Alex Borgoo, et al.Journal of Chemical Theory and Computation|August 3, 2017
Magnetic-Field Density-Functional Theory (BDFT): Lessons from the Adiabatic ConnectionSarah Reimann, Alex Borgoo, Erik I Tellgren, et al.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|September 8, 2014
Charge-constrained auxiliary-density-matrix methods for the Hartree-Fock exchange contributionPatrick Merlot, Róbert Izsák, Alex Borgoo, et al.The 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 Physical Chemistry. A|July 13, 2006
Computation of the hardness and the problem of negative electron affinities in density functional theoryDavid J Tozer, Frank De ProftPageof 7