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
收藏
页码：35 / 47
页数：13
相关论文
共 50 条
  • [41] A CORRECTED VALENCE FORCE-FIELD FOR BENZENE
    PAINTER, PC
    SNYDER, RW
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1980, 36 (04) : 337 - 339
  • [42] FORCE-FIELD ANALYSIS - CASE HISTORY
    GAUTSCHI, TF
    TAPPI, 1975, 58 (11): : 51 - 52
  • [43] FORCE-FIELD AND RZ STRUCTURE OF KETENE
    MALLINSON, PD
    NEMES, L
    JOURNAL OF MOLECULAR SPECTROSCOPY, 1976, 59 (03) : 470 - 481
  • [44] A NEW FORCE-FIELD FOR MODELING METALLOPROTEINS
    VEDANI, A
    HUHTA, DW
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1990, 112 (12) : 4759 - 4767
  • [45] FORCE-FIELD STUDY OF DINITROGEN TETROXIDE
    RAMASWAMY, K
    SRIDHARAN, T
    INDIAN JOURNAL OF PHYSICS AND PROCEEDINGS OF THE INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE-PART B, 1977, 51 (04): : 318 - 328
  • [46] AN ABINITIO QUADRATIC FORCE-FIELD FOR METHYLDIBORANE
    KEEPORTS, DD
    EGGERS, DF
    INORGANIC CHEMISTRY, 1984, 23 (16) : 2505 - 2509
  • [47] UNIQUE FORCE-FIELD FOR BORON TRIHALIDES
    RAMASWAMY, K
    JAYARAMAN, L
    INDIAN JOURNAL OF PHYSICS AND PROCEEDINGS OF THE INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE, 1975, 49 (01): : 1 - 8
  • [48] APPROXIMATE VALENCE FORCE-FIELD FOR BENZENETRICARBONYLCHROMIUM
    BISBY, EM
    DAVIDSON, G
    DUCE, DA
    JOURNAL OF MOLECULAR STRUCTURE, 1978, 48 (01) : 93 - 100
  • [49] FORCE-FIELD NORMAL TO THE GALACTIC PLANE
    HOUSE, F
    KILKENNY, D
    ASTRONOMY & ASTROPHYSICS, 1980, 81 (1-2) : 251 - 254
  • [50] VALENCE FORCE-FIELD OF FLUORINATED BENZENES
    FUGAEVA, OM
    KOROBEINICHEVA, IK
    JOURNAL OF MOLECULAR STRUCTURE, 1993, 293 : 205 - 207
12345