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Electron pairing and chemical bonds. Molecular structure from the analysis of pair densities and related quantities

✍ Scribed by Robert Ponec

Book ID
110385921
Publisher
Springer
Year
1998
Tongue
English
Weight
203 KB
Volume
23
Category
Article
ISSN
0259-9791

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πŸ“œ SIMILAR VOLUMES

Electron pairing and chemical bonds: Che
Electron pairing and chemical bonds: Chemical bonds from the condition of minimum fluctuation of electron pair
✍ Robert Ponec πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 148 KB πŸ‘ 2 views

The role of electron pairing in chemical bonding stressed by the Lewis electron-pair model of the chemical bond is analyzed and discussed from the point of view of the proposal that chemical bonds are the regions of space populated roughly by two electrons and which at the same time exhibit low fluc

Electron pairing and chemical bonds: Bon
Electron pairing and chemical bonds: Bonding in hypervalent molecules from analysis of Fermi holes
✍ Ponec, Robert; Duben, Anthony J. πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 272 KB πŸ‘ 2 views

Bonding in the hypervalent molecules SF , BrF , PF , and SF was studied using multicenter bond order indices and examination of the eigenvalues and the eigenvectors of the Fermi holes of the constituent atoms. Diagonalization of the Fermi holes provided quantitative validation of Musher's categoriza

Electron pairing and chemical bonds: Pai
Electron pairing and chemical bonds: Pair localization in ELF domains from the analysis of domain averaged Fermi holes
✍ Robert Ponec; Joaquin Chaves πŸ“‚ Article πŸ“… 2006 πŸ› John Wiley and Sons 🌐 English βš– 274 KB πŸ‘ 1 views

## Abstract This article reports the application of a recently proposed formalism of domain averaged Fermi holes to the problem of the localization of electron pairs in electron localization function (ELF) domains and its possible implications for the electron pair model of chemical bond. The main

Bond electron pair: Its relevance and an
Bond electron pair: Its relevance and analysis from the quantum chemistry point of view
✍ Jean-Paul Malrieu; Nathalie GuihΓ©ry; Carmen jimΓ©nez Calzado; Celestino Angeli πŸ“‚ Article πŸ“… 2006 πŸ› John Wiley and Sons 🌐 English βš– 450 KB

## Abstract This paper first comments on the surprisingly poor status that Quantum Chemistry has offered to the fantastic intuition of Lewis concerning the distribution of the electrons in the molecule. Then, it advocates in favor of a hierarchical description of the molecular wave‐function, distin