Orbital-Weighted Dual Descriptor for the Study of Local Reactivity of Systems with (Quasi-) Degenerate States-Reference-Cited by-同舟云学术

Orbital-Weighted Dual Descriptor for the Study of Local Reactivity of Systems with (Quasi-) Degenerate States

Published:2019-11-11 Issue:49 Volume:123 Page:10556-10562
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Pino-Rios Ricardo¹,Inostroza Diego²,Cárdenas-Jirón Gloria¹^ORCID,Tiznado William³^ORCID

Affiliation:

1. Laboratorio de Quı́mica Teórica, Facultad de Quı́mica y Biologı́a, Universidad de Santiago de Chile (USACH) Av. Libertador Bernardo O’Higgins 3363, Santiago, Estación Central, Región Metropolitana 9170022, Chile

2. Doctorado en Fisicoquı́mica Molecular. Facultad de Ciencias Exactas, Universidad Andres Bello (UNAB), Av. República 275, Santiago, Región Metropolitana 8370146, Chile

3. Computational and Theoretical Chemistry Group, Departamento de Ciencias Quı́micas, Facultad de Ciencias Exactas, Universidad Andres Bello, Av. República 498, Santiago, Región Metropolitana 8370251, Chile

Funder

Consejo Nacional de Innovaci?n, Ciencia y Tecnolog?a

Fondo Nacional de Desarrollo Cient?fico y Tecnol?gico

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.9b07516

Reference54 articles.

1. Conceptual Density Functional Theory

2. Chemical reactivity indexes in density functional theory

3. Density functional approach to the frontier-electron theory of chemical reactivity

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