Electronegativity equalization: taming an old problem with new tools-Reference-Cited by-同舟云学术

Electronegativity equalization: taming an old problem with new tools

Published:2020 Issue:40 Volume:22 Page:22880-22884
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Casals-Sainz J. Luis¹²³⁴,Francisco E.¹²³⁴,Martín Pendás A.¹²³⁴^ORCID

Affiliation:

1. Departamento de Química Física y Analítica

2. Universidad de Oviedo

3. Oviedo

4. Spain

Abstract

Electronegativity equalization is examined after understanding an atom-in-a-molecule as an open quantum system, characterized by a variable fluctuating number of electrons whose average is set through charge-constrained electronic structure calculations.

Funder

Ministerio de Ciencia e Innovación

Fundación para el Fomento en Asturias de la Investigación Científica Aplicada y la Tecnología

European Regional Development Fund

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP04381H

Reference28 articles.

1. L. Pauling , The Nature of the Chemical Bond , Cornell Univ. Press , Ithaca, N. Y. , 3rd edn, 1960

2. K. D. Sen and C. K.Jorgensen , Electronegativity , Springer-Verlag , Berlin , 1987

3. An Interpretation of Bond Lengths and a Classification of Bonds

4. R. T. Sanderson , Chemical Bonds and Bond Energy , Academic Press , New York , 1976

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