DYNAMIC THRESHOLD IN F+H-2-]HF+H REACTION AS DETERMINED FROM 3-DIMENSIONAL QUASI-CLASSICAL REVERSE TRAJECTORY CALCULATIONS

被引:18
|
作者
LEASURE, SC [1 ]
BOWMAN, JM [1 ]
机构
[1] IIT,DEPT CHEM,CHICAGO,IL 60616
关键词
D O I
10.1016/0009-2614(76)80304-1
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:462 / 467
页数:6
相关论文
共 50 条
  • [1] TOTAL INTEGRAL REACTIVE CROSS-SECTIONS FOR F+H-2-]HF+H - COMPARISON OF CONVERGED QUANTUM, QUASI-CLASSICAL TRAJECTORY AND EXPERIMENTAL RESULTS
    NEUHAUSER, D
    JUDSON, RS
    JAFFE, RL
    BAER, M
    KOURI, DJ
    [J]. CHEMICAL PHYSICS LETTERS, 1991, 176 (06) : 546 - 550
  • [2] CLASSICAL TRAJECTORY ANALYSIS OF REACTION F+H2-]HF+H
    JAFFE, RL
    ANDERSON, JB
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (05): : 2224 - &
  • [3] ACCURATE 3-DIMENSIONAL QUANTUM SCATTERING CALCULATIONS FOR F+H2-]HF+H
    ZHANG, JZH
    MILLER, WH
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (07): : 4549 - 4550
  • [4] QUASI-CLASSICAL TRAJECTORY CALCULATIONS ON THE H + O-2 REACTION
    BOTTOMLEY, M
    BRADLEY, JN
    GILBERT, JR
    [J]. INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 1981, 13 (09) : 957 - 975
  • [5] ACCURATE 3-DIMENSIONAL QUANTUM SCATTERING CALCULATIONS FOR F+H2-]HF+H - REPLY
    ZHANG, JZH
    MILLER, WH
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (12): : 7610 - 7610
  • [6] THEORETICAL-STUDIES OF THE POTENTIAL SURFACE FOR THE F+H-2-]HF+H REACTION
    BAUSCHLICHER, CW
    WALCH, SP
    LANGHOFF, SR
    TAYLOR, PR
    JAFFE, RL
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (03): : 1743 - 1751
  • [7] Ab initio simulation of molecular beam experiments for the F+H-2->HF+H reaction
    Aoiz, FJ
    Banares, L
    MartinezHaya, B
    Castillo, JF
    Manolopoulos, DE
    Stark, K
    Werner, HJ
    [J]. JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (36): : 6403 - 6414
  • [8] COMBINING TRANSITION-STATE THEORY WITH QUASI-CLASSICAL TRAJECTORY CALCULATIONS .3. APPLICATIONS TO THE 3-DIMENSIONAL H+H-2(NU) REACTION
    FROST, RJ
    SMITH, IWM
    [J]. CHEMICAL PHYSICS, 1987, 117 (03) : 421 - 438
  • [9] POTENTIAL ENERGIES FOR THE REACTION F+H-2-]HF+H BY THE RANDOM-WALK METHOD
    GARMER, DR
    ANDERSON, JB
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (05): : 3050 - 3056
  • [10] QUANTUM EFFECTS IN THE F+H-2-]HF+H REACTION - ACCURATE 3D CALCULATIONS WITH A REALISTIC POTENTIAL-ENERGY SURFACE
    KRESS, JD
    BACIC, Z
    PARKER, GA
    PACK, RT
    [J]. CHEMICAL PHYSICS LETTERS, 1989, 157 (06) : 484 - 490