A quantum-topological analysis of electron density in P4 clusters

被引:0
|
作者
Bobrov, MF [1 ]
Smetannikov, YV [1 ]
Tarasova, NP [1 ]
Tsirelson, VG [1 ]
机构
[1] Mendeleev Univ Chem Technol, Moscow 125190, Russia
来源
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY | 2005年 / 79卷 / 12期
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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
Ab initio quantum-chemical calculations were performed to study changes in the geometric parameters in various electronic states of equilibrium phosphorus P-4 clusters and structures with a breaking bond.
引用
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页码:2002 / 2008
页数:7
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