Quantum-chemical study of supramolecular complexes (DPyEt)n(AgNO3)m

被引：0
|
作者：
T. S. Zyubina
V. F. Razumov
S. B. Brichkin
V. M. Anisimov
机构：
[1] Institute of Problems of Chemical Physics,Russian Academy of Sciences
来源：
Russian Chemical Bulletin | 2002年 / 51卷
关键词：
dipyridylethylene; supramolecular complexes; semiempirical quantum-chemical calculations; quantum-chemical calculations; electronic structure;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
The electronic structures and energies of formation of supramolecular complexes of dipyridylethylene with AgNO3 were calculated by the semiempirical AM1/d method, at the Hartree—Fock level, and by the density functional theory (B3LYP/6-31G*).
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页码：2145 / 2156
页数：11
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