Energy components in energy decomposition analysis (EDA) are path functions; why does it matter?
Author:
Affiliation:
1. Faculty of Natural Sciences and Technology
2. Department of Chemistry
3. Saarland University
4. 66123 Saarbrücken
5. Federal Republic of Germany
6. Faculty of Science
7. Masaryk University
8. 625 00 Brno
9. Czech Republic
Abstract
EDA energy components are path functions. Is there any preferred path for EDA?
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP04016A
Reference74 articles.
1. Pauli Repulsions Exist Only in the Eye of the Beholder
2. Hydrogen–Hydrogen Bonding in Planar Biphenyl, Predicted by Atoms-In-Molecules Theory, Does Not Exist
3. The development of the idea of a chemical bond
4. Toward a Consistent Interpretation of the QTAIM: Tortuous Link between Chemical Bonds, Interactions, and Bond/Line Paths
5. The Virial and Molecular Structure
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