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Toward Complementary Characterization of the Chemical Bond

[Image: see text] A precise discussion of a single bond requires consideration of two-particle wave function for the particles involved. Here we define and determine rigorously the intrinsic covalency and connected characteristics of the canonical example of the H(2) molecule. This is achieved by st...

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Detalles Bibliográficos
Autores principales: Hendzel, Maciej, Fidrysiak, Maciej, Spałek, Józef
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9661532/
https://www.ncbi.nlm.nih.gov/pubmed/36301690
http://dx.doi.org/10.1021/acs.jpclett.2c02544