Kick–Fukui: A Fukui Function-Guided Method for Molecular Structure Prediction-Reference-Cited by-同舟云学术

Kick–Fukui: A Fukui Function-Guided Method for Molecular Structure Prediction

Published:2021-08-11 Issue:8 Volume:61 Page:3955-3963
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Yañez Osvaldo¹²³^ORCID,Báez-Grez Rodrigo³^ORCID,Inostroza Diego³⁴,Pino-Rios Ricardo⁵^ORCID,Rabanal-León Walter A.⁶,Contreras-García Julia⁷,Cardenas Carlos⁸⁹^ORCID,Tiznado William³^ORCID

Affiliation:

1. Center of New Drugs for Hypertension (CENDHY), 8380494 Santiago, Chile

2. Department of Pharmaceutical Science and Technology, School of Chemical and Pharmaceutical Sciences, Universidad de Chile, 8380494 Santiago, Chile

3. Computational and Theoretical Chemistry Group, Departamento de Ciencias Químicas, Facultad de Ciencias Exactas, Universidad Andres Bello, República 498, 8370035 Santiago, Chile

4. Universidad Andres Bello, Programa de Doctorado en Fisicoquímica Molecular, Facultad de Ciencias Exactas, 8370035 Santiago, Chile

5. Laboratorio de Química Teórica, Facultad de Química y Biología, Universidad de Santiago de Chile (USACH), 8320000 Santiago, Chile

6. Departamento de Química Analítica e Inorgánica, Facultad de Ciencias Químicas, Universidad de Concepción, Edmundo Larenas 129, Casilla 160-C, 4070371 Concepción, Chile

7. Sorbonne Universités and CNRS, Laboratoire de Chimie Théorique (LCT), 75005 Paris, France

8. Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 635, Santiago 7790681, Chile

9. Centro para el Desarrollo de la Nanociencias y Nanotecnologia, CEDENNA, Avenida Ecuador 3493, 9170124 Santiago, Chile

Funder

Fondo Nacional de Desarrollo Cient??fico y Tecnol??gico

Center for the Development of Nanoscience and Nanotechnology CEDENNA

Scholarship Program/BECAS DOCTORADO NACIONAL

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.1c00605

Reference95 articles.

1. Density-Functional Theory of the Electronic Structure of Molecules

2. Chemical reactivity indexes in density functional theory

3. Conceptual Density Functional Theory and Some Recent Developments

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