A THEORETICAL-STUDY OF DEUTERIUM-ISOTOPE EFFECTS IN THE REACTIONS H-2 + CH3 AND H + CH4

被引：93
|
作者：
SCHATZ, GC [1 ]
WAGNER, AF [1 ]
DUNNING, TH [1 ]
机构：
[1] ARGONNE NATL LAB,DIV CHEM,THEORET CHEM GRP,ARGONNE,IL 60439
来源：
JOURNAL OF PHYSICAL CHEMISTRY | 1984年 / 88卷 / 02期
关键词：
D O I：
10.1021/j150646a013
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：221 / 232
页数：12
相关论文
共 50 条
  • [1] THEORETICAL-STUDY OF PRIMARY AND SECONDARY DEUTERIUM EQUILIBRIUM ISOTOPE EFFECTS FOR H-2 AND CH4 ADDITION TO TRANS-IR(PR3)2(CO)X
    ABUHASANAYN, F
    KROGHJESPERSEN, K
    GOLDMAN, AS
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1993, 115 (18) : 8019 - 8023
  • [2] Velocity Map Imaging Study of the Reaction Dynamics of the H + CH4 → H2 + CH3 Reaction: The Isotope Effects
    Pan, Huilin
    Yang, Jiayue
    Shuai, Quan
    Zhang, Dong
    Zhang, Weiqing
    Wu, Guorong
    Dai, Dongxu
    Jiang, Bo
    Zhang, Donghui
    Yang, Xueming
    JOURNAL OF PHYSICAL CHEMISTRY A, 2014, 118 (13): : 2426 - 2430
  • [3] HIGH-TEMPERATURE REACTIONS OF CH3 .1. THE REACTION CH3 + H2-] CH4 + H
    MOLLER, W
    MOZZHUKHIN, E
    WAGNER, HG
    BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1986, 90 (10): : 854 - 861
  • [4] THEORETICAL-ANALYSIS OF KINETIC ISOTOPE EFFECTS - DEUTERIUM-ISOTOPE EFFECTS IN THE REACTION OF CH3 WITH METHANE
    CANADELL, E
    OLIVELLA, S
    POBLET, JM
    JOURNAL OF PHYSICAL CHEMISTRY, 1984, 88 (16): : 3545 - 3549
  • [5] ON THE FORMATION OF C2H8(+) IN THE REACTION CH4(+)+CH4-]CH3+CH5(+) - A THEORETICAL-STUDY
    HAVLAS, Z
    BAUWE, E
    ZAHRADNIK, R
    CHEMICAL PHYSICS LETTERS, 1985, 121 (4-5) : 330 - 333
  • [6] Deuterium isotope effects in the polyatomic reaction of O(1D2) + CH4 → OH + CH3
    Ogi, Yoshihiro
    Kohguchi, Hiroshi
    Suzuki, Toshinori
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2013, 15 (31) : 12946 - 12957
  • [7] AN ABINITIO THEORETICAL-STUDY OF THE CH+H-2 REVERSIBLE CH3-STAR REVERSIBLE CH2+H REACTIONS
    AOYAGI, M
    SHEPARD, R
    WAGNER, AF
    INTERNATIONAL JOURNAL OF SUPERCOMPUTER APPLICATIONS AND HIGH PERFORMANCE COMPUTING, 1991, 5 (01): : 72 - 89
  • [8] Theoretical dynamics studies of the CH3 + HBr → CH4 + Br reaction: effects of isotope substitution and vibrational excitation of CH3
    Szabo, Peter
    Lendvay, Gyorgy
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2024, 26 (14) : 10530 - 10537
  • [9] A theoretical study on an isotope effect in the CH3+H2→CH4+H reaction
    Kurosaki, Y
    Takayanagi, T
    CHEMICAL PHYSICS LETTERS, 1999, 299 (01) : 57 - 63
  • [10] A theoretical study of the kinetics of the forward and reverse reactions HI + CH3 = I + CH4
    Meciarova, Katarina
    Sulka, Martin
    Canneaux, Sebastien
    Louis, Florent
    Cernusak, Ivan
    CHEMICAL PHYSICS LETTERS, 2011, 517 (4-6) : 149 - 154
12345