Multicenter bonding within the AIM theory

Authors
Bochicchio, R Ponec, R Torre, A Lain, L
Citation
R. Bochicchio et al., Multicenter bonding within the AIM theory, THEOR CH AC, 105(4-5), 2001, pp. 292-298
Citations number
50
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
THEORETICAL CHEMISTRY ACCOUNTS
ISSN journal
1432881X → ACNP
Volume
105
Issue
4-5
Year of publication
2001
Pages
292 - 298
Database
ISI
SICI code
1432-881X(200103)105:4-5<292:MBWTAT>2.0.ZU;2-0
Abstract
This study reports the incorporation of recently proposed formalism for the detection and localization of multicenter bonding in molecules, the so-cal led generalized population analysis, into the framework of the atoms in mol ecules (AIM) theory. The reliability of this new approach is tested by dire ct numerical comparison of the values of multicenter bond indices derived f rom both the original and the AIM-generalized forms of the population analy sis.