CHLOROSILANES - DEVELOPMENT AND APPLICATION OF MM2 FORCE-FIELD PARAMETERS

被引:17
|
作者
CHO, SG
UNWALLA, RJ
CARTLEDGE, FK
PROFETA, S
机构
[1] LOUISIANA STATE UNIV, DEPT CHEM, BATON ROUGE, LA 70803 USA
[2] GLAXO INC, DEPT SCI COMP, RES TRIANGLE PK, NC 27709 USA
关键词
D O I
10.1002/jcc.540100606
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:832 / 849
页数:18
相关论文
共 50 条
  • [1] DEVELOPMENT OF A MOLECULAR MECHANICS (MM2) FORCE-FIELD FOR ALPHA-CHLOROSILANES
    CHO, SG
    CARTLEDGE, FK
    UNWALLA, RJ
    PROFETA, S
    TETRAHEDRON, 1990, 46 (24) : 8005 - 8018
  • [2] MM2 FORCE-FIELD PARAMETERS FOR OXIMES
    SCHNUR, DM
    DALTON, DR
    JOURNAL OF ORGANIC CHEMISTRY, 1988, 53 (14): : 3313 - 3316
  • [3] MM2/MOMM force-field parameters for azoalkanes
    Kao, J.
    Leister, D.
    Journal of the American Chemical Society, 1988, 110 (22): : 7286 - 7291
  • [4] MM2/MOMM FORCE-FIELD PARAMETERS FOR AZOALKANES
    KAO, J
    LEISTER, D
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1988, 110 (22) : 7286 - 7291
  • [5] A SYSTEMATIC METHOD FOR ESTIMATING MM2 FORCE-FIELD PARAMETERS
    LIU, SY
    PURVIS, GD
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1992, 204 : 33 - COMP
  • [6] MM2 FORCE-FIELD PARAMETERS FOR COMPOUNDS CONTAINING THE DIAZOKETONE FUNCTION
    GOODMAN, JM
    JAMES, JJ
    WHITING, A
    JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1994, (01): : 109 - 116
  • [7] THE MM2 FORCE-FIELD FOR SILANES AND POLYSILANES
    FRIERSON, MR
    IMAM, MR
    ZALKOW, VB
    ALLINGER, NL
    JOURNAL OF ORGANIC CHEMISTRY, 1988, 53 (22): : 5248 - 5258
  • [8] FORCE-FIELD CALCULATIONS (MM2) OF CARBON LATTICES
    LAQUA, G
    MUSSO, H
    BOLAND, W
    AHLRICHS, R
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1990, 112 (20) : 7391 - 7392
  • [9] A MODIFIED MM2 FORCE-FIELD FOR BLEOMYCIN ANALYSIS
    CHARLES, R
    GANLYCUNNINGHAM, M
    WARREN, R
    ZIMMER, M
    JOURNAL OF MOLECULAR STRUCTURE, 1992, 265 (3-4) : 385 - 395
  • [10] COMBINED APPLICATION OF PAIR POTENTIALS AND THE MM2 FORCE-FIELD FOR THE MODELING OF IONOPHORES
    BADERTSCHER, M
    MUSSO, S
    WELTI, M
    PRETSCH, E
    MARUIZUMI, T
    HA, TK
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 1990, 11 (07) : 819 - 828