AM1 STUDIES ON THE POTENTIAL-ENERGY SURFACE FOR THE PROTON-TRANSFER IN PROTONATED WATER CLUSTERS, H+(H2O)N

被引：12
|
作者：
CHOI, JY [1 ]
DAVIDSON, ER [1 ]
LEE, I [1 ]
机构：
[1] INHA UNIV,DEPT CHEM,INCHON 402751,SOUTH KOREA
来源：
JOURNAL OF COMPUTATIONAL CHEMISTRY | 1989年 / 10卷 / 02期
关键词：
D O I：
10.1002/jcc.540100204
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：163 / 175
页数：13
相关论文
共 50 条
  • [1] KINETICS AND MECHANISM STUDIES OF LARGE PROTONATED WATER CLUSTERS, H+(H2O)N, N = 1-60, AT THERMAL-ENERGY
    YANG, X
    ZHANG, X
    CASTLEMAN, AW
    [J]. INTERNATIONAL JOURNAL OF MASS SPECTROMETRY AND ION PROCESSES, 1991, 109 : 339 - 354
  • [2] A Hierarchical Approach to Study the Thermal Behavior of Protonated Water Clusters H+(H2O)n
    Nguyen, Quoc Chinh
    Ong, Yew-Soon
    Kuo, Jer-Lai
    [J]. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2009, 5 (10) : 2629 - 2639
  • [3] POTENTIAL-ENERGY SURFACE AND DYNAMICS OF PROTON-TRANSFER IN WATER
    OHMINE, I
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1995, 210 : 98 - PHYS
  • [4] A MODEL STUDY OF PROTON-TRANSFER IN THE H5O2+ COMPLEX ON A BIDIMENSIONAL POTENTIAL-ENERGY SURFACE
    LAMI, A
    VILLANI, G
    [J]. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1995, 330 : 307 - 312
  • [5] REACTIONS OF N2O5 WITH PROTONATED WATER CLUSTERS H+(H2O)(N), N=3-30
    WINCEL, H
    MEREAND, E
    CASTLEMAN, AW
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1994, 98 (35): : 8606 - 8610
  • [6] PROTON-TRANSFER POTENTIAL-ENERGY SURFACES OF THE WATER DIMER CATION (H2O)2+ IN THE 12A'' AND 12A' STATES
    TOMODA, S
    KIMURA, K
    [J]. CHEMICAL PHYSICS, 1983, 82 (1-2) : 215 - 227
  • [7] An extended empirical valence bond model for describing proton transfer in H+(H2O)n clusters and liquid water
    Vuilleumier, R
    Borgis, D
    [J]. CHEMICAL PHYSICS LETTERS, 1998, 284 (1-2) : 71 - 77
  • [8] Reactions of protonated water clusters H+(H2O)n (n=1-6) with dimethylsulfoxide in a guided ion beam apparatus
    Kawai, Y
    Yamaguchi, S
    Okada, Y
    Takeuchi, K
    Yamauchi, Y
    Ozawa, S
    Nakai, H
    [J]. CHEMICAL PHYSICS LETTERS, 2003, 377 (1-2) : 69 - 73
  • [9] Stability and Structure of Protonated Clusters of Ammonia and Water, H+(NH3)m (H2O)n
    Hvelplund, Preben
    Kurten, Theo
    Stochkel, Kristian
    Ryding, Mauritz Johan
    Nielsen, Steen Brondsted
    Uggerud, Einar
    [J]. JOURNAL OF PHYSICAL CHEMISTRY A, 2010, 114 (27): : 7301 - 7310
  • [10] PROTON-TRANSFER REACTIONS OF H+(H2O)N=2-11 WITH METHANOL, AMMONIA, PYRIDINE, ACETONITRILE, AND ACETONE
    VIGGIANO, AA
    DALE, F
    PAULSON, JF
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (04): : 2469 - 2477
12345