Implementation of nonadditive intermolecular potentials by use of molecular dynamics. Development of a water-water potential and water-ion cluster interactions

被引：0
|
作者：
机构：
来源：
| 1600年 / 112期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
  • [1] IMPLEMENTATION OF NONADDITIVE INTERMOLECULAR POTENTIALS BY USE OF MOLECULAR-DYNAMICS - DEVELOPMENT OF A WATER WATER POTENTIAL AND WATER ION CLUSTER INTERACTIONS
    CALDWELL, J
    DANG, LX
    KOLLMAN, PA
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1990, 112 (25) : 9144 - 9147
  • [2] Importance of Ion Size on the Dominance of Water-Ion Versus Water-Water Interactions in Au-Supported Solvatomers
    Weber, Irene
    Penschke, Christopher
    Michaelides, Angelos
    Morgenstern, Karina
    NANO LETTERS, 2025, 25 (06) : 2188 - 2194
  • [3] Structure and polarization properties of water: Molecular dynamics with a nonadditive intermolecular potential
    Shvab, I.
    Sadus, Richard J.
    PHYSICAL REVIEW E, 2012, 85 (05):
  • [4] WATER-WATER AND WATER-ION POTENTIAL FUNCTIONS INCLUDING TERMS FOR MANY-BODY EFFECTS, CALCULATION OF FREE-ENERGY CHANGES IN ION-WATER CLUSTERS USING NONADDITIVE POTENTIALS AND THE MONTE-CARLO METHOD - COMMENT
    BERNE, BJ
    WALLQVIST, A
    JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (12): : 8016 - 8017
  • [5] Ion-Water Cluster Molecular Dynamics Using a Semiempirical Intermolecular Potential
    Faginas-Lago, Noelia
    Alberti, Margarita
    Lagana, Antonio
    Lombardi, Andrea
    COMPUTATIONAL SCIENCE AND ITS APPLICATIONS - ICCSA 2015, PT II, 2015, 9156 : 355 - 370
  • [6] EFFECTIVE POTENTIAL FOR WATER-ION INTERACTIONS IN PRENUCLEATION EMBRYOS
    BRIANT, CL
    BURTON, JJ
    JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (07): : 2849 - 2855
  • [7] WATER-WATER AND WATER-ION POTENTIAL FUNCTIONS INCLUDING TERMS FOR MANY-BODY EFFECTS, CALCULATION OF FREE-ENERGY CHANGES IN ION-WATER CLUSTERS USING NONADDITIVE POTENTIAL AND THE MONTE-CARLO METHODS - REPLY
    KOLLMAN, P
    LYBRAND, T
    CIEPLAK, P
    JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (12): : 8017 - 8017
  • [8] MOLECULAR-DYNAMICS SIMULATION OF LIQUID WATER WITH AN ABINITIO FLEXIBLE WATER-WATER INTERACTION POTENTIAL
    LIE, GC
    CLEMENTI, E
    PHYSICAL REVIEW A, 1986, 33 (04) : 2679 - 2693
  • [9] Stable Salt-Water Cluster Structures Reflect the Delicate Competition between Ion-Water and Water-Water Interactions
    Liu, Cheng-Wen
    Wang, Feng
    Yang, Lijiang
    Li, Xin-Zheng
    Zheng, Wei-Jun
    Gao, Yi Qin
    JOURNAL OF PHYSICAL CHEMISTRY B, 2014, 118 (03): : 743 - 751
  • [10] Effects of Nonadditive Interactions on Ion Solvation at the Water/Vapor Interface: A Molecular Dynamics Study
    Yagasaki, Takuma
    Saito, Shinji
    Ohmine, Iwao
    JOURNAL OF PHYSICAL CHEMISTRY A, 2010, 114 (48): : 12573 - 12584
12345