Evaluation of Slight Changes in Aromaticity through Electronic and Density Functional Reactivity Theory-Based Descriptors-Reference-Cited by-同舟云学术

Evaluation of Slight Changes in Aromaticity through Electronic and Density Functional Reactivity Theory-Based Descriptors

Published:2022-06-13 Issue:25 Volume:7 Page:21939-21945
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Báez-Grez Rodrigo¹^ORCID,Pino-Rios Ricardo²^ORCID

Affiliation:

1. Computational and Theoretical Chemistry Group, Departamento de Ciencias Químicas, Facultad de Ciencias Exactas, Universidad Andres Bello, República 275, Santiago 8370146, Chile

2. Instituto de Ciencias Químicas Aplicadas, Facultad de Ingeniería, Universidad Autónoma de Chile, 7500912 Santiago, Chile

Funder

Fondo Nacional de Desarrollo Cient?fico y Tecnol?gico

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acsomega.2c02291

Reference48 articles.

1. Why Aromaticity Is a Suspicious Concept? Why?

2. Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion

3. Quantifying aromaticity with electron delocalisation measures

4. Classification of chemical bonds based on topological analysis of electron localization functions

5. A simple measure of electron localization in atomic and molecular systems

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