Local potential energy: a novel QTAIM tool to quantify the binding energy of classical hydrogen bonds

Published 2020 View Full Article

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Title
Local potential energy: a novel QTAIM tool to quantify the binding energy of classical hydrogen bonds
Authors
Keywords
QTAIM, IQA, Local potential energy, LPE, SAPT, LMOEDA, Hydrogen bond, Supramolecular binding energy
Journal
CHEMICAL PHYSICS LETTERS
Volume -, Issue -, Pages 137593
Publisher
Elsevier BV
Online
2020-05-12
DOI
10.1016/j.cplett.2020.137593

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