POLYOXOVANADATE CLUSTERS AND CAGES - FORCE-FIELD PARAMETERIZATION

Authors
MENKE C DIEMANN E MULLER A
Citation
C. Menke et al., POLYOXOVANADATE CLUSTERS AND CAGES - FORCE-FIELD PARAMETERIZATION, Journal of molecular structure, 437, 1997, pp. 35-47
Citations number
51
Journal title
Journal of molecular structure → ACNP
ISSN journal
00222860
Volume
437
Year of publication
1997
Pages
35 - 47
Database
ISI
SICI code
0022-2860(1997)437:<35:PCAC-F>2.0.ZU;2-G
Abstract
Polyoxovanadates currently present the most complex and most instructi ve series of structures of discrete inorganic host-guest species. A pa rameterization of the CERIUS force field derived from the structural d ata of examples of this type and of other polyoxovanadate clusters wit h a considerable variety of structures is reported. (C) 1997 Elsevier Science B.V.