New insight into atomic-level interpretation of interactions in molecules and reacting systems-Reference-Cited by-同舟云学术

New insight into atomic-level interpretation of interactions in molecules and reacting systems

Published:2023 Issue:16 Volume:25 Page:11398-11409
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Lefebvre Corentin¹^ORCID,Khartabil Hassan²^ORCID,Hénon Eric²^ORCID

Affiliation:

1. Institut de la Matière condensée et des Nanosciences, Catholic University of Louvain, Lavoisier building Place Louis Pasteur 1, mailbox L4.01.02, 1348, Louvain-la-Neuve, Belgium

2. Institut de Chimie Moléculaire de Reims UMR CNRS 7312, Université de Reims Champagne-Ardenne, Moulin de la Housse, F-51687 Reims Cedex 02 BP 1039, France

Abstract

During a reaction the molecules undergo phases of electronic structure reorganisation. This phenomenon can now be detected by monitoring the curvature of the atomic IGM-DOI indices along the reaction path.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP02839E

Reference39 articles.

1. Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density

2. The Independent Gradient Model: A New Approach for Probing Strong and Weak Interactions in Molecules from Wave Function Calculations

3. New Way for Probing Bond Strength

4. Bond order and valence indices: A personal account

5. Atomic Decomposition Scheme of Noncovalent Interactions Applied to Host–Guest Assemblies

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