Dispersion Corrections Improve the Accuracy of Both Noncovalent and Covalent Interactions Energies Predicted by a Density-Functional Theory Approximation

Journal of Physical Chemistry A

Volumn 119, Issue 25, 2015, Pages 6703-6713

  Van Santen, Jeffrey A ^a   Dilabio, Gino A ^a,b  

^a UNIVERSITY OF BRITISH COLUMBIA   (Canada)

^b NATIONAL RESEARCH COUNCIL CANADA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CHEMICAL BONDS; CHEMICAL PROPERTIES; COMPUTATION THEORY; DISPERSIONS; FORECASTING;

BOND DISSOCIATION ENTHALPIES; COMPUTATIONAL COSTS; COVALENT INTERACTIONS; DENSITY FUNCTIONALS; DIELS-ALDER REACTION; DISPERSION CORRECTION; GENERALIZED GRADIENT APPROXIMATIONS; RADICAL STABILIZATION ENERGY;

DENSITY FUNCTIONAL THEORY;

EID: 84933052244     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/acs.jpca.5b02809     Document Type: Article

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