AB-INITIO STUDY OF THE BONDING OF ZINC ATOMS TO FIRST-ROW AND 2ND-ROWMAIN-GROUP ATOMS

Authors
BOLDYREV AI SIMONS J
Citation
Ai. Boldyrev et J. Simons, AB-INITIO STUDY OF THE BONDING OF ZINC ATOMS TO FIRST-ROW AND 2ND-ROWMAIN-GROUP ATOMS, Molecular physics, 92(3), 1997, pp. 365-379
Citations number
44
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Molecular physics → ACNP
ISSN journal
00268976
Volume
92
Issue
3
Year of publication
1997
Pages
365 - 379
Database
ISI
SICI code
0026-8976(1997)92:3<365:ASOTBO>2.0.ZU;2-P
Abstract
A systematic ab initio study has been made of the bonding between Zn a toms and all first- and second-row main group atoms. Ground state term symbols, equilibrium bond lengths, vibrational frequencies and dissoc iation energies have been determined, and the nature of the bonding (v an der Waals, dative and chemical) has been examined.