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Proceedings of the National Academy of Sciences of the United States of America|September 16, 2006
First-principles, quantum-mechanical simulations of electron solvation by a water clusterJohn M Herbert, Martin Head-GordonThe Journal of Physical Chemistry. A|July 13, 2006
Calculation of electron detachment energies for water cluster anions: an appraisal of electronic structure methods, with application to (H2O)20- AND (H2O)24-John M Herbert, Martin Head-GordonJournal of Chemical Theory and Computation|August 1, 2018
Efficient Implementation of NOCI-MP2 Using the Resolution of the Identity Approximation with Application to Charged Dimers and Long C-C Bonds in Ethane DerivativesShane R Yost, Martin Head-GordonPhysical 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-GordonPageof 735