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Physical SciencesChemistryPhysical and Theoretical Chemistry

Clarifying the quantum mechanical origin of the covalent chemical bond

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Paper Summary

Paperzilla title
KE-lowering; It's not the only thing, but it's something.
This study challenges the traditional view that covalent bond formation is universally driven by the lowering of electron kinetic energy. The research suggests that this is not always the case, and other factors such as constructive quantum interference play significant roles. The results are supported by advanced computational modeling.

Possible Conflicts of Interest

One of the authors (MHG) declares part ownership of the Q-chem software package used in the study.

Rating Explanation

This paper presents a compelling challenge to the established understanding of covalent bond formation, backed by robust computational analysis. The research opens new avenues for investigating chemical bonding, and the discussion is clear and accessible. The declared conflict of interest regarding software usage is noted.

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File Information

Original Title:
Clarifying the quantum mechanical origin of the covalent chemical bond
File Name:
s41467-020-18670-8.pdf
[download]
File Size:
1.09 MB
Uploaded:
July 14, 2025 at 06:52 AM
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