Reaction cross section and rate constant calculations for the D+H2(v=0,1) -&gt HD+H reaction on three ab initio potential energy surfaces. A quasiclassical trajectory study

被引：0
|
作者：
Aoiz, F.J.
Banares, L.
Diez-Rojo, T.
Herrero, V.J.
Rabanos, Saes V.
机构：
来源：
Journal of Physical Chemistry | 1996年 / 100卷 / 10期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
  • [1] Reaction cross section and rate constant calculations for the D+H-2(v=0,1)->HD+H reaction on three ab initio potential energy surfaces. A quasiclassical trajectory study
    Aoiz, FJ
    Banares, L
    DiezRojo, T
    Herrero, VJ
    Rabanos, VS
    JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (10): : 4071 - 4083
  • [2] The H+D2→HD+D and D+H2→HD+H reactions:: ab initio and rate constants calculations
    Dehestani, M.
    Shojaie, F.
    ASIAN JOURNAL OF CHEMISTRY, 2006, 18 (03) : 2269 - 2279
  • [3] EXTRACTION OF REACTION CROSS SECTION FROM RATE CONSTANT DATA . D+H2-]HD+H
    MELTON, LA
    GORDON, RG
    JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (12): : 5449 - &
  • [4] Reaction cross sections and rate constants for the Cl+H-2(D-2)->HCl(DCl)+H(D) reaction from quasiclassical trajectory calculations on an ab initio potential energy surface
    Aoiz, FJ
    Banares, L
    JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (46): : 18108 - 18115
  • [5] DETERMINATION OF THE ABSOLUTE SCATTERING CROSS-SECTION FOR THE REACTION D+H2(NU=1)-]HD+H AT 0.33 EV
    GOTTING, R
    HERRERO, V
    TOENNIES, JP
    VODEGEL, M
    CHEMICAL PHYSICS LETTERS, 1987, 137 (06) : 524 - 532
  • [6] Reaction cross sections and rate constants for the Cl+H2 reaction from quasiclassical trajectory calculation on two new ab initio potential energy surfaces
    Shen, CS
    Wu, T
    Ju, GZ
    Bian, WS
    JOURNAL OF PHYSICAL CHEMISTRY A, 2002, 106 (01): : 176 - 180
  • [7] TEMPERATURE-DEPENDENCE OF THE REACTION D+H2(UPSILON=1)-]HD(UPSILON=0,1)+H
    WELLHAUSEN, U
    WOLFRUM, J
    BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1985, 89 (03): : 314 - 316
  • [8] Quasiclassical trajectory study of the reaction H+CH4(ν3=0,1)→CH3+H2 using a new ab initio potential energy surface
    Xie, Zhen
    Bowman, Joel M.
    Zhang, Xiubin
    JOURNAL OF CHEMICAL PHYSICS, 2006, 125 (13):
  • [9] FIXED ANGLE REACTOR MODEL-CALCULATIONS FOR THE D+H2(NU=0,1)-]HD(NU'=0,1,2)+H REACTION
    OPDEHAAR, BMDDJ
    BALINTKURTI, GG
    JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (02): : 888 - 898
  • [10] QUASICLASSICAL TRAJECTORY STUDY OF THE STEREODYNAMICS FOR THE REACTION D+ + H2 (ν=0, j=0) → HD + H+
    Zhang, Wenqin
    Chen, Maodu
    JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2009, 8 (06): : 1131 - 1141
12345