Topological analysis of charge density is presented for cluster models simulating ionic oxides such as MgO and A&O+ Use of the constrained space orbital variation method for the clusters embedded in different Madelung fields permits us to develop the energy in various physical meaningful contributio
β¦ LIBER β¦
Topological analysis of the current density field in molecules
β Scribed by J.A.N.F. Gomes
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 895 KB
- Volume
- 93
- Category
- Article
- ISSN
- 0022-2860
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Topological analysis of charge density i
β
C. Sousa; F. Illas; C. Bo; J.M. Poblet
π
Article
π
1993
π
Elsevier Science
π
English
β 560 KB
A Topological Analysis of the Electron D
β
Carolina Garau; Antonio Frontera; David QuiΓ±onero; Pablo Ballester; Antoni Costa
π
Article
π
2003
π
John Wiley and Sons
π
English
β 142 KB
π 1 views
Topological analysis of electron density
β
Llusar, Rosa; BeltrοΏ½n, Armando; AndrοΏ½s, Juan; Noury, StοΏ½phane; Silvi, Bernard
π
Article
π
1999
π
John Wiley and Sons
π
English
β 227 KB
π 1 views
Except for the case of van der Waals interactions, homopolar bonds are covalent and therefore a concentration of the electron density is expected at the bond midpoint. Many experimental and theoretical studies have reported standard deformation density maps and molecular density minus spherical atom
The Quantum Theory of Atoms in Molecules
β
Matta, ChΓΒ©rif F.; Boyd, Russell J.
π
Article
π
2007
π
Wiley-VCH Verlag GmbH & Co. KGaA
β 273 KB
π 2 views
Deformation of electron densities in sta
β
Gustavo A. Arteca; Paul G. Mezey
π
Article
π
1992
π
Elsevier Science
π
English
β 861 KB
Direct expression for the current densit
β
J. Foltin
π
Article
π
1966
π
Elsevier Science
β 130 KB