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Journal of Chemical Theory and Computation|December 3, 2015
Rotational g Tensors Calculated Using Hybrid Exchange-Correlation Functionals with the Optimized Effective Potential ApproachAndrew M Teale, Trygve Helgaker, David J TozerChemistry (Weinheim an Der Bergstrasse, Germany)|April 21, 2012
Electronic structure and aromaticity of graphene nanoribbonsFrancisco J Martín-Martínez, Stijn Fias, Gregory Van Lier, et al.The Journal of Chemical Physics|January 28, 2012
Effective homogeneity of the exchange-correlation and non-interacting kinetic energy functionals under density scalingAlex Borgoo, Andrew M Teale, David J TozerJournal of Chemical Theory and Computation|January 4, 2018
Approximating the Shifted Hartree-Exchange-Correlation Potential in Direct Energy Kohn-Sham TheoryDaniel J Sharpe, Mel Levy, David J TozerPhysical Chemistry Chemical Physics : PCCP|April 9, 2014
Revisiting the density scaling of the non-interacting kinetic energyAlex Borgoo, Andrew M Teale, David J TozerPhysical Chemistry Chemical Physics : PCCP|July 11, 2017
Aromaticity and antiaromaticity of substituted fulvene derivatives: perspectives from the information-theoretic approach in density functional reactivity theoryDonghai Yu, Chunying Rong, Tian Lu, et al.Chemical Communications (Cambridge, England)|April 11, 2009
Unexpected nucleophilic behaviour of free-radicals generated from alpha-iodoketonesCorinne De Dobbeleer, Jirí Pospísil, Freija De Vleeschouwer, et al.Chemical Science|April 29, 2017
Aromatic sulfonation with sulfur trioxide: mechanism and kinetic modelSamuel L C Moors, Xavier Deraet, Guy Van Assche, et al.Accounts of Chemical Research|January 31, 2012
The Woodward-Hoffmann rules reinterpreted by conceptual density functional theoryPaul Geerlings, Paul W Ayers, Alejandro Toro-Labbé, et al.Journal of Chemical Theory and Computation|November 25, 2015
Assessment of Atomic Charge Models for Gas-Phase Computations on PolypeptidesToon Verstraelen, Ewald Pauwels, Frank De Proft, et al.Pageof 26