Ab Initio Dot Structures Beyond the Lewis Picture

Ab Initio Dot Structures Beyond the Lewis Picture

The empirical Lewis picture of the chemical bond dominates the view chemists have of molecules, of their stability and reactivity. Within the mathematical framework of quantum mechanics, all this chemical information is hidden in the many-particle wave function <inline-formula><math xmlns=&...

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Bibliographic Details
Main Authors: Michael A. Heuer, Leonard Reuter, Arne Lüchow
Format: Article
Language:English
Published: MDPI AG 2021-02-01
Series:Molecules
Subjects:
probability density analysis
electronic structure
Lewis structures
chemical bonding
similarity
clustering
Online Access:https://www.mdpi.com/1420-3049/26/4/911

Internet

https://www.mdpi.com/1420-3049/26/4/911

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