A (nearly) universally applicable method for modeling noncovalent interactions using B3LYP

From National Research Council Canada

DOIResolve DOI: https://doi.org/10.1021/jz300554y
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Affiliation
  1. National Research Council of Canada. Security and Disruptive Technologies
FormatText, Article
Subjectdispersion-corrected density-functional theory; B3LYP; dispersion-correcting potentials; B3LYP-DCP; accurate noncovalent binding energies
Abstract
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LanguageEnglish
Peer reviewedYes
NPARC number21268896
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Record identifier7673576c-b25e-4f8f-9d40-9b24375413bc
Record created2013-11-22
Record modified2020-04-21
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