Atoms and bonds in molecules as synergisms of interactions between electrons and nuclei. | LitMetric

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Atoms and bonds in molecules as synergisms of interactions between electrons and nuclei. | LitMetric

Atoms and bonds in molecules as synergisms of interactions between electrons and nuclei.

Klaus Ruedenberg

J Chem Phys

Department of Chemistry and Ames National Laboratory, USDOE, Iowa State University, Ames, Iowa 20011, USA.

Published: December 2022

The molecular electronic wave functions are represented using a quasi-atomic approach, making it easier to analyze.
The energy expression designed captures different chemical bonding types and physical interactions.
The study sheds light on the bonding patterns found in various molecules, improving our understanding of their chemical behavior.

The molecular electronic wave functions are expressed in quasi-atomic form. The corresponding global energy expression exhibits the unified resolution of the various modes of chemical bonding in terms of physical interactions. The bonding patterns in several molecules is elucidated.

Download full-text PDF	Source
http://dx.doi.org/10.1063/5.0124417	DOI Listing

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