Polyoxovanadate clusters and cages: force-field parameterization

被引：0

作者：

Menke, C ^{[1
]}

Diemann, E ^{[1
]}

Muller, A ^{[1
]}

机构：

[1] Univ Bielefeld, Fak Chem, Lehrstuhl Anorgan Chem 1, D-33501 Bielefeld, Germany

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1997年 / 437卷

关键词：

force fields; host-guest compounds; molecular mechanics; polyoxometallates; supramolecular chemistry;

D O I：

暂无

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：

Polyoxovanadates currently present the most complex and most instructive series of structures of discrete inorganic host-guest species. A parameterization of the CERIUS force field derived from the structural data of examples of this type and of other polyoxovanadate clusters with a considerable variety of structures is reported. (C) 1997 Elsevier Science B.V.

引用

页码：35 / 47

页数：13

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