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The Journal of Chemical Physics|November 4, 2017
Assessing many-body contributions to intermolecular interactions of the AMOEBA force field using energy decomposition analysis of electronic structure calculationsOmar Demerdash, Yuezhi Mao, Tianyi Liu, et al.The Journal of Chemical Physics|November 25, 2011
On the nature of electron correlation in C60David Stück, Thomas A Baker, Paul Zimmerman, et al.Physical Chemistry Chemical Physics : PCCP|October 12, 2012
Examination of the hydrogen-bonding networks in small water clusters (n = 2-5, 13, 17) using absolutely localized molecular orbital energy decomposition analysisErika A Cobar, Paul R Horn, Robert G Bergman, et al.Science (New York, N.Y.)|September 10, 2005
Simulated quantum computation of molecular energiesAlán Aspuru-Guzik, Anthony D Dutoi, Peter J Love, et al.The Journal of Chemical Physics|April 12, 2013
Unrestricted absolutely localized molecular orbitals for energy decomposition analysis: theory and applications to intermolecular interactions involving radicalsPaul R Horn, Eric Jon Sundstrom, Thomas A Baker, et al.The Journal of Chemical Physics|March 8, 2013
Useful lower limits to polarization contributions to intermolecular interactions using a minimal basis of localized orthogonal orbitals: theory and analysis of the water dimerR Julian Azar, Paul Richard Horn, Eric Jon Sundstrom, et al.Journal of Computational Chemistry|March 13, 2003
Sparse matrix multiplications for linear scaling electronic structure calculations in an atom-centered basis set using multiatom blocksChandra Saravanan, Yihan Shao, Roi Baer, et al.Journal of Chemical Theory and Computation|November 24, 2015
Automated Transition State Searches without Evaluating the HessianShaama Mallikarjun Sharada, Paul M Zimmerman, Alexis T Bell, et al.Journal of Chemical Theory and Computation|November 27, 2015
Superposition of Fragment Excitations for Excited States of Large Clusters with Application to Helium ClustersKristina D Closser, Qinghui Ge, Yuezhi Mao, et al.Physical Chemistry Chemical Physics : PCCP|September 19, 2014
Spin-flip non-orthogonal configuration interaction: a variational and almost black-box method for describing strongly correlated moleculesNicholas J Mayhall, Paul R Horn, Eric J Sundstrom, et al.Pageof 739