Computing the Fukui Function in Solid-State Chemistry: Application to Alkaline Earth Oxides Bulk and Surfaces-Reference-Cited by-同舟云学术

Computing the Fukui Function in Solid-State Chemistry: Application to Alkaline Earth Oxides Bulk and Surfaces

Published:2020-03-12 Issue:14 Volume:124 Page:2826-2833
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Cerón M. L.¹,Gomez T.²,Calatayud M.³^ORCID,Cárdenas C.⁴⁵^ORCID

Affiliation:

1. Facultad de Ingenierı́a, Universidad Finis Terrae, Av. Pedro de Valdivia 1509, Providencia, Santiago, Chile

2. Theoretical and Computational Chemistry Center, Institute of Applied Chemical Sciences, Faculty of Engineering, Universidad Autonoma de Chile, El Llano Subercaseaux 2801, Santiago, Chile

3. Sorbonne Université, CNRS, Laboratoire de Chimie Théorique, LCT, F. 75005 Paris, France

4. Departamento de Fı́sica, Facultad de Ciencias, Universidad de Chile, Casilla 635, Santiago, Chile

5. Centro para el Desarrollo de la Nanociencia y la Nanotecnologı́a (CEDENNA), Avda. Ecuador 3493, Santiago 9170124, Chile

Funder

Comisi?n Nacional de Investigaci?n Cient?fica y Tecnol?gica

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.0c00950

Reference37 articles.

1. Chemical reactivity and the concept of charge- and frontier-controlled reactions

2. Intermolecular orbital theory of the interaction between conjugated systems. I. General theory

3. Role of Frontier Orbitals in Chemical Reactions

4. Electronegativity: The density functional viewpoint

5. Chemical reactivity indexes in density functional theory

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