MOLECULAR-DYNAMICS COMPUTER-SIMULATION STUDY OF THE SOLVATION OF QUINUCLIDINE IN BENZENE

被引:9
|
作者
MALINIAK, A
LAAKSONEN, A
机构
关键词
D O I
10.1080/00268978700102351
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
引用
收藏
页码:489 / 496
页数:8
相关论文
共 50 条
  • [41] A MOLECULAR-DYNAMICS SIMULATION OF SMALL BENZENE CLUSTERS
    DELMISTRO, G
    STACE, AJ
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (05): : 3905 - 3913
  • [42] COMPUTER-SIMULATION ALGORITHMS FOR MOLECULES UNDERGOING PLANAR COUETTE-FLOW - A NONEQUILIBRIUM MOLECULAR-DYNAMICS STUDY
    TRAVIS, KP
    DAIVIS, PJ
    EVANS, DJ
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (03): : 1109 - 1118
  • [43] SOLVATION DYNAMICS IN METHANOL - EXPERIMENTAL AND MOLECULAR-DYNAMICS SIMULATION STUDIES
    ROSENTHAL, SJ
    JIMENEZ, R
    FLEMING, GR
    KUMAR, PV
    MARONCELLI, M
    [J]. JOURNAL OF MOLECULAR LIQUIDS, 1994, 60 (1-3) : 25 - 56
  • [44] THE CHEMICAL-POTENTIAL OF WATER - MOLECULAR-DYNAMICS COMPUTER-SIMULATION OF THE CF AND SPC MODELS
    QUINTANA, J
    HAYMET, ADJ
    [J]. CHEMICAL PHYSICS LETTERS, 1992, 189 (03) : 273 - 277
  • [45] TRANSPORT-COEFFICIENTS OF AR-KR MIXTURES BY MOLECULAR-DYNAMICS COMPUTER-SIMULATION
    HEYES, DM
    PRESTON, SR
    [J]. PHYSICS AND CHEMISTRY OF LIQUIDS, 1991, 23 (03) : 123 - 149
  • [46] INVESTIGATION OF SHAPE VARIATIONS IN THE ANTIBODY-BINDING SITE BY MOLECULAR-DYNAMICS COMPUTER-SIMULATION
    DELACRUZ, X
    MARK, AE
    TORMO, J
    FITA, I
    VANGUNSTEREN, WF
    [J]. JOURNAL OF MOLECULAR BIOLOGY, 1994, 236 (04) : 1186 - 1195
  • [47] A STRUCTURAL-ANALYSIS OF THE VITREOUS SILICA SURFACE VIA A MOLECULAR-DYNAMICS COMPUTER-SIMULATION
    LEVINE, SM
    GAROFALINI, SH
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (05): : 2997 - 3002
  • [48] MOLECULAR-DYNAMICS OF METHANOL - FAR INFRARED-LASER SPECTROSCOPY, INTERFEROMETRY AND COMPUTER-SIMULATION
    VIJ, JK
    REID, CJ
    EVANS, MW
    [J]. MOLECULAR PHYSICS, 1983, 50 (05) : 935 - 947
  • [49] COMPUTER-SIMULATION OF SOLVATION DYNAMICS IN HYDROGEN-BONDING LIQUIDS
    SKAF, MS
    LADANYI, BM
    [J]. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1995, 335 : 181 - 188
  • [50] STATISTICAL THERMODYNAMICS IN THE CLASSICAL MOLECULAR-DYNAMICS ENSEMBLE .2. APPLICATION TO COMPUTER-SIMULATION
    LUSTIG, R
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (04): : 3060 - 3067