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The Journal of Chemical Physics|March 27, 2007
Linear-scaling implementation of molecular electronic self-consistent field theoryPaweł Sałek, Stinne Høst, Lea Thøgersen, et al.
The Journal of Chemical Physics|January 6, 2006
A computational study of some electric and magnetic properties of gaseous BF3 and BCl3Antonio Rizzo, Chiara Cappelli, José Miguel Junquera-Hernández, et al.
Physical Chemistry Chemical Physics : PCCP|November 30, 2010
Should negative electron affinities be used for evaluating the chemical hardness?Carlos Cárdenas, Paul Ayers, Frank De Proft, et al.
The Journal of Chemical Physics|May 10, 2020
Low energy electron impact resonances of anthracene probed by 2D photoelectron imaging of its radical anionGolda Mensa-Bonsu, Aude Lietard, David J Tozer, et al.
Journal of Chemical Theory and Computation|April 27, 2016
Exchange-Correlation Functionals via Local Interpolation along the Adiabatic ConnectionStefan Vuckovic, Tom J P Irons, Andreas Savin, et al.
The Journal of Chemical Physics|July 17, 2014
Orbital-dependent second-order scaled-opposite-spin correlation functionals in the optimized effective potential methodIreneusz Grabowski, Eduardo Fabiano, Andrew M Teale, 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.
The Journal of Chemical Physics|November 30, 2019
Photoelectron spectroscopy of para-benzoquinone cluster anionsGolda Mensa-Bonsu, Mark R Wilson, David J Tozer, et al.
Physical Chemistry Chemical Physics : PCCP|February 24, 2017
Interpolated energy densities, correlation indicators and lower bounds from approximations to the strong coupling limit of DFTStefan Vuckovic, Tom J P Irons, Lucas O Wagner, et al.
Journal of Chemical Theory and Computation|September 14, 2021
Self-Consistent Field Methods for Excited States in Strong Magnetic Fields: a Comparison between Energy- and Variance-Based ApproachesGrégoire David, Tom J P Irons, Adam E A Fouda, et al.
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