Unveiling the role of intra and interatomic interactions in the energetics of reaction schemes: a quantum chemical topology analysis-Reference-Cited by-同舟云学术

Unveiling the role of intra and interatomic interactions in the energetics of reaction schemes: a quantum chemical topology analysis

Published:2018 Issue:43 Volume:20 Page:27558-27570
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Jara-Cortés Jesús¹²³^ORCID,Landeros-Rivera Bruno¹²³,Hernández-Trujillo Jesús¹²³^ORCID

Affiliation:

1. Departamento de Física y Química Teórica, Facultad de Química, UNAM

2. México City

3. Mexico

Abstract

The interacting quantum atoms method provides an interpretative tool for chemical reaction energies in terms of physically meaningful atomic contributions.

Funder

Dirección General de Asuntos del Personal Académico, Universidad Nacional Autónoma de México

Consejo Nacional de Ciencia y Tecnología

Universidad Nacional Autónoma de México

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP03775B

Reference94 articles.

1. A Hierarchy of Homodesmotic Reactions for Thermochemistry

2. Homodesmotic reactions for thermochemistry

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4. The importance of negative (anionic) hyperconjugation

5. The evaluation of strain and stabilization in molecules using isodesmic reactions

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