Ab initio study of the bonding of zinc atoms to first- and second-row main group atoms

被引：51
作者：
Boldyrev, AI
Simons, J
机构：
来源：
MOLECULAR PHYSICS | 1997年 / 92卷 / 03期
关键词：
D O I：
10.1080/00268979709482107
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
A systematic ab initio study has been made of the bonding between Zn atoms and all first- and second-row main group atoms. Ground state term symbols, equilibrium bond lengths, vibrational frequencies and dissociation energies have been determined, and the nature of the bonding (van der Waals, dative and chemical) has been examined.
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页码：365 / 379
页数：15
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