CLASSICAL TRAJECTORY CALCULATIONS FOR THE D+H-2(V=0,J=0-3)-]HD(V',J')+H REACTION - DIFFERENTIAL AND STATE-TO-STATE CROSS-SECTIONS IN THE 0.35-1.10 EV COLLISION ENERGY-RANGE

被引:9
|
作者
AOIZ, FJ
CANDELA, V
HERRERO, VJ
RABANOS, VS
机构
[1] UNIV POLITECN MADRID,EUIT FORESTAL,DEPT INGN FORESTAL,E-28040 MADRID,SPAIN
[2] CSIC,INST ESTRUCT MAT,E-28006 MADRID,SPAIN
[3] UNIV POLITECN MADRID,ESCUELA TECN SUPER INGN MONTES,DEPT QUIM GEN & BIOQUIM,E-28040 MADRID,SPAIN
关键词
D O I
10.1016/0009-2614(90)85195-I
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
Differential and total state-to-state cross sections for the D + H2 (v=0, j=0-3) → HD (v′, j′) + H reaction in the 0.35-1.10 eV collision energy range, have been calculated on the LSTH surface using the QCT method. The results are commented on and compared to recent quantum mechanical calculations and to experimental measurements. © 1990.
引用
收藏
页码:243 / 252
页数:10
相关论文
共 50 条
  • [31] Including tunneling into the classical cross sections and rate constants for the N(2D) + H2 (v = 0, j = 0) reaction
    Pascal Larrégaray
    Laurent Bonnet
    Theoretical Chemistry Accounts, 2021, 140
  • [32] State-to-state time-dependent wavepacket approach to reactive scattering: State-resolved cross-sections for D+H-2(v=1, j=1,m)->H+DH((v)over-bar,(j)over-bar)
    Neuhauser, D
    Judson, RS
    Baer, M
    Kouri, DJ
    JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1997, 93 (05): : 727 - 736
  • [33] State-to-State Quantum Dynamics Study of Intramolecular Isotope Effects on Be(1S) + HD (v0=2, j0=0) → BeH/BeD plus H/D Reaction
    Xu, Hongtai
    Yang, Zijiang
    MOLECULES, 2024, 29 (06):
  • [34] Quasi-Classical Trajectory Calculations of Reaction Stereodynamics of H plus OH(v=0, j=0) → H2+O(3P)
    Zhao Li
    Sun Ping
    Liu Chao-Zhuo
    CHINESE PHYSICS LETTERS, 2011, 28 (08)
  • [35] COMPARISON OF CLASSICAL SIMULATIONS OF THE H+H-2 REACTION TO ACCURATE QUANTUM-MECHANICAL STATE-TO-STATE PARTIAL CROSS-SECTIONS WITH TOTAL ANGULAR MOMENTA J = 0-4 AND TO EXPERIMENT FOR ALL J
    ZHAO, MS
    MLADENOVIC, M
    TRUHLAR, DG
    SCHWENKE, DW
    SUN, Y
    KOURI, DJ
    BLAIS, NC
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1989, 111 (03) : 852 - 859
  • [36] MOLECULAR-BEAM SCATTERING MEASUREMENTS OF DIFFERENTIAL CROSS-SECTIONS FOR D+H2(V=0)-]HD+H AT ECM=1.5 EV
    GOTTING, R
    MAYNE, HR
    TOENNIES, JP
    JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (11): : 6396 - 6419
  • [37] On the existence of resonances in the H+D2→HD(v′=0,j′=7)+D reaction at collision energies 0.6-1.3 eV
    Aoiz, FJ
    Bañares, L
    Castillo, JF
    JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (19): : 8237 - 8239
  • [38] Measurement of the cross section for H+D2→HD(v′=3,j′=0)+D as a function of angle and energy
    Ayers, JD
    Pomerantz, AE
    Fernández-Alonso, F
    Ausfelder, F
    Bean, BD
    Zare, RN
    JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (09): : 4662 - 4670
  • [39] Quasi-Classical Trajectory Study on O++DH (v=0, j=0)→OD++H Reaction at Different Collision Energy
    Sun, Hai-zhu
    Liu, Xin-guo
    Lv, Juan-juan
    Liu, Hui-rong
    CHINESE JOURNAL OF CHEMICAL PHYSICS, 2010, 23 (05) : 521 - 526
  • [40] Including tunneling into the classical cross sections and rate constants for the N(2D) plus H2 (v = 0, j = 0) reaction
    Larregaray, Pascal
    Bonnet, Laurent
    THEORETICAL CHEMISTRY ACCOUNTS, 2021, 140 (06)