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Physical Chemistry Chemical Physics : PCCP|February 17, 2006
Accuracy and limitations of second-order many-body perturbation theory for predicting vertical detachment energies of solvated-electron clustersJohn M Herbert, Martin Head-GordonThe Journal of Chemical Physics|November 10, 2009
Long-range corrected double-hybrid density functionalsJeng-Da Chai, Martin Head-GordonThe Journal of Chemical Physics|October 17, 2017
Compressed representation of dispersion interactions and long-range electronic correlationsJérôme F Gonthier, Martin Head-GordonProceedings of the National Academy of Sciences of the United States of America|November 22, 2017
Energy decomposition analysis of single bonds within Kohn-Sham density functional theoryDaniel S Levine, Martin Head-GordonThe Journal of Chemical Physics|August 27, 2005
A local correlation model that yields intrinsically smooth potential-energy surfacesJoseph E Subotnik, Martin Head-GordonJournal of the American Chemical Society|October 19, 2006
Charge penetration and the origin of large O-H vibrational red-shifts in hydrated-electron clusters, (H2O)n-John M Herbert, Martin Head-GordonThe Journal of Physical Chemistry. A|August 6, 2010
Ab initio calculations on the electronically excited states of small helium clustersKristina D Closser, Martin Head-GordonThe Journal of Chemical Physics|June 20, 2023
Repartitioned Brillouin-Wigner perturbation theory with a size-consistent second-order correlation energyKevin Carter-Fenk, Martin Head-GordonJournal of the American Chemical Society|March 5, 2008
A delicate electronic balance between metal and ligand in [Cu-P-Cu-P] diamondoids: oxidation state dependent plasticity and the formation of a singlet diradicaloidYoung Min Rhee, Martin Head-GordonThe Journal of Chemical Physics|March 5, 2008
Systematic optimization of long-range corrected hybrid density functionalsJeng-Da Chai, Martin Head-GordonPageof 44