On the nature of multicenter bonding in simple atomic clusters

Authors
Ponec, R Roithova, J Sannigrahi, AB Lain, L Torre, A Bochicchio, RC
Citation
R. Ponec et al., On the nature of multicenter bonding in simple atomic clusters, J MOL ST-TH, 505, 2000, pp. 283-288
Citations number
23
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280 → ACNP
Volume
505
Year of publication
2000
Pages
283 - 288
Database
ISI
SICI code
0166-1280(20000626)505:<283:OTNOMB>2.0.ZU;2-H
Abstract
The electronic structure of simple atomic clusters (C-3 and B-3(+) has been analyzed using multicenter bond indices and orbital localization. It has b een shown that unusually high values of 3-center XXX bond indices in these molecules are due to multiple 3-center bond. (C) 2000 Elsevier Science B.V. All rights reserved.