First principles molecular dynamics of water near hydrophobic surfaces

被引：0
|
作者：
Kudin, Konstantin N.
Car, Roberto
机构：
[1] Princeton Univ, PRISM, Princeton, NJ 08544 USA
[2] Princeton Univ, Dept Chem, Princeton, NJ 08544 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2006年 / 231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：
94-PHYS
引用
收藏
页数：2
相关论文
共 50 条
  • [31] Molecular dynamics simulations of β-microglobulin interaction with hydrophobic surfaces
    Foumthuim, Cedrix J. Dongmo
    Corazza, Alessandra
    Esposito, Gennaro
    Fogolari, Federico
    MOLECULAR BIOSYSTEMS, 2017, 13 (12) : 2625 - 2637
  • [32] Molecular dynamics simulations of a protein on hydrophobic and hydrophilic surfaces
    Tobias, D. J.
    Mar, W.
    Blasie, J. K.
    Klein, M. L.
    Biophysical Journal, 71 (06):
  • [33] Water desorption from rapidly-heated metal oxide surfaces-first principles, molecular dynamics, and the Temkin isotherm
    Lane, J. Matthew D.
    Leung, Kevin
    Thompson, Aidan P.
    Cuneo, Michael E.
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2018, 30 (46)
  • [34] Molecular dynamics simulations of urea-water binary droplets on flat and pillared hydrophobic surfaces
    Koishi, Takahiro
    Yasuoka, Kenji
    Zeng, Xiao Cheng
    Fujikawa, Shigenori
    FARADAY DISCUSSIONS, 2010, 146 : 185 - 193
  • [35] The first-principles molecular dynamics study of quartz-water interface
    Ledyastuti, Mia
    Liang, Yunfeng
    Matsuoka, Toshifumi
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2013, 113 (04) : 401 - 412
  • [36] The charged interface between Pt and water: First principles molecular dynamics simulations
    Ikeshoji, Tamio
    Otani, Minoru
    Hamada, Ikutaro
    Sugino, Osamu
    Morikawa, Yoshitada
    Okamoto, Yasuharu
    Qian, Yumin
    Yagi, Ichizo
    AIP ADVANCES, 2012, 2 (03):
  • [37] Electrolysis of Water in the Diffusion Layer: First-Principles Molecular Dynamics Simulation
    Hofbauer, Florian
    Frank, Irmgard
    CHEMISTRY-A EUROPEAN JOURNAL, 2012, 18 (01) : 277 - 282
  • [38] Chemical reactions at surfaces: New insights from first-principles molecular dynamics.
    Marzari, N
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2002, 223 : C33 - C34
  • [39] Slow dynamics of water near hydrophilic surfaces
    Chen, SH
    Gallo, P
    JINGSHIN PHYSICS SYMPOSIUM IN MEMORY OF PROFESSOR WOLFGANG KROLL, 1997, : 197 - 212
  • [40] Molecular Dynamics Simulation of Lysozyme Adsorption/Desorption on Hydrophobic Surfaces
    Wei, Tao
    Carignano, Marcelo A.
    Szleifer, Igal
    JOURNAL OF PHYSICAL CHEMISTRY B, 2012, 116 (34) : 10189 - 10194
12345