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Royal Society of Chemistry, Physical Chemistry Chemical Physics, 2(23), p. 928-943, 2021

DOI: 10.1039/d0cp05852a

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A Non-Perturbative Pairwise-Additive Analysis of Charge Transfer Contributions to Intermolecular Interaction Energies

Journal article published in 2020 by Srimukh Prasad Veccham ORCID, Joonho Lee ORCID, Yuezhi Mao ORCID, Paul R. Horn, Martin Head-Gordon ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

A non-perturbative scheme for complete decomposition of energy and charge associated with charge transfer interaction into pairwise additive components.