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Royal Society of Chemistry, Physical Chemistry Chemical Physics, 36(20), p. 23328-23337

DOI: 10.1039/c8cp03764g

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A simple model for calculating atomic charges in molecules

Journal article published in 2018 by Alexander A. Voityuk ORCID, Anton J. Stasyuk ORCID, Sergei F. Vyboishchikov 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

An atomic-charge analysis scheme with two parameters per element is proposed. The scheme reproduces well the experimental dipole moments.