Combined ab initio and multi-state EVB molecular dynamics studies of liquid-vapor interface of HCl solution

被引：0
|
作者：
Lee, Hee-Seung
Brancato, Giuseppe
Tuckerman, Mark E.
机构：
[1] NYU, Dept Chem, New York, NY 10003 USA
[2] Univ Naples Federico II, Dipartimento Chim, Naples, Italy
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2005年 / 230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：
145-PHYS
引用
收藏
页码：U2838 / U2839
页数：2
相关论文
共 50 条
  • [21] Structure of perfluoroalkane fluids at the liquid-vapor interface: a molecular dynamics study
    Hernandez, D. A.
    Dominguez, H.
    REVISTA MEXICANA DE FISICA, 2014, 60 (04) : 331 - 335
  • [22] A molecular dynamics simulation study of the dimethyl sulfoxide liquid-vapor interface
    Senapati, S
    JOURNAL OF CHEMICAL PHYSICS, 2002, 117 (04): : 1812 - 1816
  • [23] Molecular dynamics simulation study of liquid-vapor interface for homonuclear diatomic molecular fluids
    Tsinghua Univ, Beijing, China
    Huagong Xuebao, 5 (644-648):
  • [24] MONTE-CARLO SIMULATION OF THE LIQUID-VAPOR INTERFACE OF WATER USING AN AB-INITIO POTENTIAL
    LIE, GC
    GRIGORAS, S
    DANG, LX
    YANG, DY
    MCLEAN, AD
    JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (05): : 3933 - 3937
  • [25] Photoemission studies and molecular simulations of acid-base equilibria at the liquid-vapor interface of an aqueous solution
    Brown, Matthew A.
    Winter, Bernd
    Faubel, Manfred
    Callahan, Karen M.
    D'Auria, Raffaella
    Tobias, Douglas J.
    Hemminger, John C.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2008, 235
  • [26] Dielectric susceptibility of dipolar molecular liquids by ab initio molecular dynamics: application to liquid HCl
    Dubois, V
    Umari, P
    Pasquarello, A
    CHEMICAL PHYSICS LETTERS, 2004, 390 (1-3) : 193 - 198
  • [27] Adsorption and solvation of ethanol at the water liquid-vapor interface: A molecular dynamics study
    Wilson, MA
    Pohorille, A
    JOURNAL OF PHYSICAL CHEMISTRY B, 1997, 101 (16): : 3130 - 3135
  • [28] Molecular dynamics study of the liquid-vapor interface of lithium bromide aqueous solutions
    Daiguji, H.
    Hihara, E.
    Warme- und Stoffubertragung Zeitschrift, 1999, 35 (03): : 213 - 219
  • [29] Molecular dynamics simulation of the liquid-vapor interface: The Lennard-Jones fluid
    Mecke, M
    Winkelmann, J
    Fischer, J
    JOURNAL OF CHEMICAL PHYSICS, 1997, 107 (21): : 9264 - 9270
  • [30] Molecular dynamics study of the liquid-vapor interface of lithium bromide aqueous solutions
    Daiguji, H
    Hihara, E
    HEAT AND MASS TRANSFER, 1999, 35 (03) : 213 - 219
12345