MODELING OF SIMPLE NONPOLAR MOLECULES FOR CONDENSED PHASE SIMULATIONS

被引:0
|
作者
MURTHY, CS
SINGER, K
MCDONALD, IR
机构
[1] UNIV LONDON ROYAL HOLLOWAY COLL,DEPT CHEM,EGHAM TW20 0EX,SURREY,ENGLAND
[2] UNIV CAMBRIDGE,DEPT PHYS CHEM,CAMBRIDGE CB2 1EP,ENGLAND
来源
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:110 / INDE
相关论文
共 50 条
  • [11] THERMAL CONDUCTIVITY OF SIMPLE MOLECULES IN THE CONDENSED STATE
    HORROCKS, JK
    MCLAUGHLIN, E
    TRANSACTIONS OF THE FARADAY SOCIETY, 1960, 56 (02): : 206 - 212
  • [12] ROTATION BEHAVIOR OF MOLECULES IN CONDENSED PHASE
    EDER, OJ
    ACTA PHYSICA AUSTRIACA, 1971, 33 (02): : 181 - &
  • [13] RESONANCE CARS OF CONJUGATED MOLECULES IN CONDENSED PHASE
    FERRANTE, C
    SPEGHINI, A
    FEIS, A
    BOZIO, R
    NUOVO CIMENTO DELLA SOCIETA ITALIANA DI FISICA D-CONDENSED MATTER ATOMIC MOLECULAR AND CHEMICAL PHYSICS FLUIDS PLASMAS BIOPHYSICS, 1992, 14 (10): : 1015 - 1022
  • [14] The effects of implicit modeling of nonpolar solvation on protein folding simulations
    Shao, Qiang
    Zhu, Weiliang
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 20 (27) : 18410 - 18419
  • [15] Simple estimates of the effective ranges of intermolecular forces of small nonpolar molecules
    Gao, CY
    COMMUNICATIONS IN THEORETICAL PHYSICS, 1998, 30 (01) : 7 - 12
  • [16] A simple heuristic approach to estimate the thermochemistry of condensed-phase molecules based on the polarizable continuum model
    Izato, Yu-ichiro
    Matsugi, Akira
    Koshi, Mitsuo
    Miyake, Atsumi
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 21 (35) : 18920 - 18929
  • [17] Modeling excited states in the condensed phase
    Isborn, Christine
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 254
  • [18] MIXTURES OF DIPOLAR WITH NONPOLAR LINEAR-MOLECULES - RESULTS FROM SIMULATIONS AND THEORY
    MULLER, A
    WINKELMANN, J
    BOUBLIK, T
    FISCHER, J
    MOLECULAR PHYSICS, 1993, 78 (01) : 121 - 135
  • [19] OKE Spectroscopy and Molecular Dynamics Simulations of Nonpolar and Polar Molecules in Ionic Liquids
    Quitevis, Edward L.
    Bardak, Fehmi
    Xiao, Dong
    Hines, Larry G., Jr.
    Son, Pillhun
    Bartsch, Richard A.
    Yang, Peng
    Voth, Gregory A.
    IONIC LIQUIDS: SCIENCE AND APPLICATIONS, 2012, 1117 : 271 - +
  • [20] Quasifree electron transport under electric field in nonpolar simple-structured condensed matters
    Sakai, Y.
    JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2007, 40 (24) : R441 - R452