QUASICLASSICAL TRAJECTORY STUDIES OF THE H+H2 REACTION ON AN ACCURATE POTENTIAL-ENERGY SURFACE .2. EFFECT OF INITIAL VIBRATION AND ROTATION ON REACTIVITY

被引:70
|
作者
BARG, GD [1 ]
MAYNE, HR [1 ]
TOENNIES, JP [1 ]
机构
[1] MAX PLANCK INST STROMUNGSFORSCH,D-3400 GOTTINGEN,FED REP GER
来源
JOURNAL OF CHEMICAL PHYSICS | 1981年 / 74卷 / 02期
关键词
D O I
10.1063/1.441234
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:1017 / 1025
页数:9
相关论文
共 50 条
  • [21] Quasiclassical trajectory studies of H+H2O and H+D2O reactions on a new ab initio potential energy surface
    Castillo, JF
    Santamaría, J
    JOURNAL OF PHYSICAL CHEMISTRY A, 2000, 104 (45): : 10414 - 10418
  • [22] POTENTIAL-ENERGY SURFACE OF H...H2O
    ZHANG, Q
    SABELLI, N
    BUCH, V
    JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (02): : 1080 - 1085
  • [23] ANISOTROPY OF H2-H POTENTIAL-ENERGY SURFACE
    NORBECK, JM
    CERTAIN, PR
    TANG, KT
    JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (01): : 590 - 591
  • [24] Exploring the potential energy surface for the H2+H→H+H2 reaction with ab initio and density functional theory methods
    Jursic, BS
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1998, 427 : 117 - 121
  • [25] A new potential surface and quasiclassical trajectory study of H+H2O→OH+H2
    Wu, G
    Schatz, GC
    Lendvay, G
    Fang, DC
    Harding, LB
    JOURNAL OF CHEMICAL PHYSICS, 2000, 113 (08): : 3150 - 3161
  • [26] EFFECT OF VIBRATION ON ROTATIONAL ENERGY-TRANSFER - A QUASICLASSICAL TRAJECTORY STUDY OF HE+H-2
    THOMPSON, DL
    JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (04): : 1829 - 1834
  • [27] A quasiclassical trajectory study of the H+H2O→ OH+H2 reaction dynamics at 1.4 eV collision energy on a new ab initio potential energy surface
    Castillo, JF
    Aoiz, FJ
    Bañares, L
    CHEMICAL PHYSICS LETTERS, 2002, 356 (1-2) : 120 - 126
  • [28] Interpolated potential-energy surface and reaction dynamics for BH++H2
    Fuller, RO
    Bettens, RPA
    Collins, MA
    JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (24): : 10711 - 10716
  • [29] A MODIFIED LEPS POTENTIAL-ENERGY SURFACE FOR THE F+H2 REACTION
    TAKAYANAGI, T
    SATO, S
    CHEMICAL PHYSICS LETTERS, 1988, 144 (02) : 191 - 193
  • [30] QUASICLASSICAL CROSS-SECTIONS FOR THE H+H2(O,O)-]H+H2 REACTION - COMPARISON OF THE SIEGBAHN-LIU-TRUHLAR-HOROWITZ AND THE PORTER-KARPLUS POTENTIAL SURFACES
    MAYNE, HR
    TOENNIES, JP
    JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (11): : 5314 - 5315