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The Journal of Organic Chemistry|October 22, 2008
An intrinsic radical stability scale from the perspective of bond dissociation enthalpies: a companion to radical electrophilicitiesFreija De Vleeschouwer, Veronique Van Speybroeck, Michel Waroquier, et al.Physical Chemistry Chemical Physics : PCCP|June 20, 2012
Relativistic ring currents in metallabenzenes: an analysis in terms of contributions of localised orbitalsRemco W A Havenith, Frank De Proft, Leonardus W Jenneskens, et al.Physical Chemistry Chemical Physics : PCCP|October 24, 2012
Inverse design of molecules with optimal reactivity properties: acidity of 2-naphthol derivativesFreija De Vleeschouwer, Weitao Yang, David N Beratan, et al.Journal of Chemical Theory and Computation|February 4, 2025
Exploring Intrinsic Bond Properties with the Fukui Matrix from Conceptual Density Matrix Functional TheoryBin Wang, Paul Geerlings, Farnaz Heidar-Zadeh, et al.Physical Chemistry Chemical Physics : PCCP|September 13, 2023
The electrophilic aromatic bromination of benzenes: mechanistic and regioselective insights from density functional theoryXavier Deraet, Eline Desmedt, Ruben Van Lommel, et al.Angewandte Chemie (International Ed. in English)|April 24, 2019
Organocatalytic, Enantioselective Dichlorination of Unfunctionalized AlkenesVolker Wedek, Ruben Van Lommel, Constantin G Daniliuc, et al.The Journal of Physical Chemistry. A|July 2, 2011
Theoretical study on the regioselectivity of the B80 buckyball in electrophilic and nucleophilic reactions using DFT-based reactivity indicesJules Tshishimbi Muya, Frank De Proft, Paul Geerlings, et al.Chemistryopen|July 12, 2019
A Benchmark of Density Functional Approximations For Thermochemistry and Kinetics of Hydride Reductions of CyclohexanonesXavier Deraet, Tatiana Woller, Ruben Van Lommel, et al.Chemical Science|June 3, 2022
Extending conceptual DFT to include external variables: the influence of magnetic fieldsRobin Francotte, Tom J P Irons, Andrew M Teale, et al.Journal of Chemical Theory and Computation|November 20, 2015
Molecular Binding in Post-Kohn-Sham Orbital-Free DFTAlex Borgoo, James A Green, David J TozerPageof 26