DENSITY FUNCTIONAL THEORY FOR SIMPLE MOLECULAR FLUIDS

被引：42
|
作者：
SLUCKIN, TJ
机构：
来源：
MOLECULAR PHYSICS | 1981年 / 43卷 / 04期
关键词：
D O I：
10.1080/00268978100101711
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：817 / 849
页数：33
相关论文
共 50 条
  • [41] A density functional theory for Yukawa chain fluids in a nanoslit
    Liu, Yu
    Chen, Xueqian
    Liu, Honglai
    Hu, Ying
    Jiang, Jianwen
    MOLECULAR SIMULATION, 2010, 36 (04) : 291 - 301
  • [42] Reply to "Comment on 'Classical density functional theory of freezing in simple fluids: Numerically induced false solutions' "
    Valera, M
    Pinski, FJ
    Johnson, DD
    PHYSICAL REVIEW E, 2003, 67 (06):
  • [43] ORIENTATIONAL ORDER IN SIMPLE DIPOLAR FLUIDS - DENSITY-FUNCTIONAL THEORY AND ABSOLUTE-STABILITY CONDITIONS
    WEI, DQ
    PATEY, GN
    PERERA, A
    PHYSICAL REVIEW E, 1993, 47 (01): : 506 - 512
  • [44] DENSITY NONLINEARITIES AND A FIELD-THEORY FOR THE DYNAMICS OF SIMPLE FLUIDS
    MAZENKO, GF
    YEO, J
    JOURNAL OF STATISTICAL PHYSICS, 1994, 74 (5-6) : 1017 - 1032
  • [45] Molecular fragments in density functional theory
    Gázquez, JL
    Cedillo, A
    Gómez, B
    Vela, A
    JOURNAL OF PHYSICAL CHEMISTRY A, 2006, 110 (13): : 4535 - 4537
  • [46] Molecular Density Functional Theory of Water
    Jeanmairet, Guillaume
    Levesque, Maximilien
    Vuilleumier, Rodolphe
    Borgis, Daniel
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2013, 4 (04): : 619 - 624
  • [47] Transition metal catalysis by density functional theory and density functional theory/molecular mechanics
    Sameera, W. M. C.
    Maseras, Feliu
    WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2012, 2 (03) : 375 - 385
  • [48] Density functional theory of molecular fragments
    Wasserman, Adam
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 256
  • [49] Molecular density functional theory of solvation
    Borgis, Daniel
    Levesque, Maximilien
    Vuilleumier, Rodolphe
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2012, 244
  • [50] Interfacial properties of binary azeotropic mixtures of simple fluids: Molecular dynamics simulation and density gradient theory
    Staubach, Jens
    Stephan, Simon
    JOURNAL OF CHEMICAL PHYSICS, 2022, 157 (12):
12345