Iterative Atomic Charge Partitioning of Valence Electron Density-Reference-Cited by-同舟云学术

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Iterative Atomic Charge Partitioning of Valence Electron Density

Published:2019-01-07 Issue:7 Volume:40 Page:875-884
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Vyboishchikov Sergei F.¹²^ORCID,Voityuk Alexander A.¹³^ORCID

Affiliation:

1. Institut de Química Computacional i Catàlisi and Departament de Química; Universitat de Girona, Carrer Maria Aurèlia Capmany; 17003 Girona Spain

2. Peoples' Friendship University of Russia (RUDN University); 117198 Moscow Russia

3. Institució Catalana de Recerca i Estudis Avançats (ICREA); Passeig de Lluís Companys; 08010 Barcelona Spain

Funder

Ministerio de Economía y Competitividad

Generalitat de Catalunya

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.25771/fullpdf

Reference43 articles.

1. Charge Model 5: An Extension of Hirshfeld Population Analysis for the Accurate Description of Molecular Interactions in Gaseous and Condensed Phases

2. Minimal Basis Iterative Stockholder: Atoms in Molecules for Force-Field Development

3. Atomic charges, dipole moments, and Fukui functions using the Hirshfeld partitioning of the electron density

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