Ab initio molecular dynamics study of glycine tautomerization in water.

被引:0
|
作者
Leung, K [1 ]
Rempe, SB [1 ]
机构
[1] Sandia Natl Labs, Albuquerque, NM 87185 USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
106-COMP
引用
收藏
页码:U912 / U912
页数:1
相关论文
共 50 条
  • [1] A direct ab initio dynamics study of the water-assisted tautomerization of formamide
    Bell, RL
    Taveras, DL
    Truong, TN
    Simons, J
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1997, 63 (04) : 861 - 874
  • [2] New ab initio VB interaction potential for molecular dynamics simulation of liquid water.
    Raimondi, M
    Famulari, A
    Gianinetti, E
    Sironi, M
    Specchio, R
    Vandoni, I
    ADVANCES IN QUANTUM CHEMISTRY, VOL 32: QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS, PT II, 1998, 32 : 263 - 284
  • [3] Water-mediated tautomerization of cytosine to the rare imino form: An ab initio dynamics study
    Fogarasi, Geza
    CHEMICAL PHYSICS, 2008, 349 (1-3) : 204 - 209
  • [4] Interaction of aluminum(III) with water. An ab initio study
    Bakker, A
    Hermansson, K
    Lindgren, J
    Probst, MM
    Bopp, PA
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1999, 75 (4-5) : 659 - 669
  • [5] Ab initio molecular dynamics study of glycine intramolecular proton transfer in water -: art. no. 184506
    Leung, K
    Rempe, SB
    JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (18):
  • [6] Stabilization of an excess electron on uracil by water.: Ab initio study
    Morgado, CA
    Pichugin, KY
    Adamowicz, L
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2004, 6 (10) : 2758 - 2762
  • [7] Quantum nuclear ab initio molecular dynamics study of water wires
    Mei, HS
    Tuckerman, ME
    Sagnella, DE
    Klein, ML
    JOURNAL OF PHYSICAL CHEMISTRY B, 1998, 102 (50): : 10446 - 10458
  • [8] Ab initio molecular dynamics study of halide water clusters.
    Nguyen, QH
    Kuo, IFW
    Tobias, DJ
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2002, 224 : U330 - U330
  • [9] Surface potential of water with ab initio molecular dynamics
    Duignan, Timothy
    Baer, Marcel
    Schenter, Gregory
    Mundy, Christopher
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 253