Molecular simulations of clay mineral dynamics: Applications and force field development

被引：0
|
作者：
Greathouse, Jeffery A. [1 ]
Cygan, Randall T. [1 ]
Zeitler, Todd R. [1 ]
机构：
[1] Sandia Natl Labs, Dept Geochem, Albuquerque, NM 87185 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2012年 / 243卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
41-GEOC
引用
收藏
页数：1
相关论文
共 50 条
  • [1] Development and applications of an arylamide force field for molecular simulations.
    Pophristic, V
    Vemparala, S
    Ivanov, I
    Klein, ML
    Degrado, WF
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2005, 229 : U807 - U807
  • [2] Polarizable Force Field Development and Molecular Dynamics Simulations of Ionic Liquids
    Borodin, Oleg
    JOURNAL OF PHYSICAL CHEMISTRY B, 2009, 113 (33): : 11463 - 11478
  • [3] ReaxFF Reactive Force Field Development and Applications for Molecular Dynamics Simulations of Ammonia Borane Dehydrogenation and Combustion
    Weismiller, Michael R.
    van Duin, Adri C. T.
    Lee, Jongguen
    Yetter, Richard A.
    JOURNAL OF PHYSICAL CHEMISTRY A, 2010, 114 (17): : 5485 - 5492
  • [4] Development, applications and challenges of ReaxFF reactive force field in molecular simulations
    You Han
    Dandan Jiang
    Jinli Zhang
    Wei Li
    Zhongxue Gan
    Junjie Gu
    Frontiers of Chemical Science and Engineering, 2016, 10 : 16 - 38
  • [5] Development,applications and challenges of ReaxFF reactive force field in molecular simulations
    You Han
    Dandan Jiang
    Jinli Zhang
    Wei Li
    Zhongxue Gan
    Junjie Gu
    Frontiers of Chemical Science and Engineering, 2016, 10 (01) : 16 - 38
  • [6] Development, applications and challenges of ReaxFF reactive force field in molecular simulations
    Han, You
    Jiang, Dandan
    Zhang, Jinli
    Li, Wei
    Gan, Zhongxue
    Gu, Junjie
    FRONTIERS OF CHEMICAL SCIENCE AND ENGINEERING, 2016, 10 (01) : 16 - 38
  • [7] Molecular dynamics simulations of the adsorption of proteins on clay mineral surfaces
    Yu, CH
    Norman, MA
    Newton, SQ
    Miller, DM
    Teppen, BJ
    Schäfer, L
    JOURNAL OF MOLECULAR STRUCTURE, 2000, 556 (1-3) : 95 - 103
  • [8] Development of a Force Field Topology Database for Detergents for Molecular Dynamics Simulations with the Amber Force Fields
    Abel, Stephane
    Dupradeau, Francois-Yves
    de Foresta, Beatrice
    Marchi, Massimo
    BIOPHYSICAL JOURNAL, 2012, 102 (03) : 395A - 396A
  • [9] Molecular Dynamics Simulations of the Adsorption of Methylene Blue at Clay Mineral Surfaces
    Ching-Hsing Yu
    Susan Q. Newton
    Mya A. Norman
    David M. Miller
    Lothar Schäfer
    Brian J. Teppen
    Clays and Clay Minerals, 2000, 48 : 665 - 681
  • [10] Molecular dynamics simulations of the adsorption of methylene blue at clay mineral surfaces
    Yu, CH
    Newton, SQ
    Norman, MA
    Miller, DM
    Schäfer, L
    Teppen, BJ
    CLAYS AND CLAY MINERALS, 2000, 48 (06) : 665 - 681
12345