REDUCED DIMENSIONALITY QUANTUM RATE CONSTANTS FOR THE D+H-2(V=0) AND D+H-2(V=1) REACTIONS ON THE LSTH SURFACE

被引:55
作者
BOWMAN, JM [1 ]
LEE, KT [1 ]
WALKER, RB [1 ]
机构
[1] UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545
关键词
D O I
10.1063/1.446295
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:3742 / 3745
页数:4
相关论文
共 31 条
[1]   INTEGRAL AND DIFFERENTIAL CROSS-SECTIONS FOR THE H2(NU-I=1) + H REACTION - A COMPARISON BETWEEN AVERAGE-L LABELED INFINITE-ORDER SUDDEN APPROXIMATION AND CLASSICAL TREATMENTS [J].
BAER, M ;
MAYNE, HR ;
KHARE, V ;
KOURI, DJ .
CHEMICAL PHYSICS LETTERS, 1980, 72 (02) :269-274
[2]   SUDDEN ROTATION CALCULATIONS OF THE H+H2(UPSILON=1,J=0) REACTION [J].
BOWMAN, JM ;
LEE, KT .
CHEMICAL PHYSICS LETTERS, 1979, 64 (02) :291-294
[3]   NEW APPROXIMATE QUANTUM CROSS-SECTIONS FOR THE H+H2 REACTION [J].
BOWMAN, JM ;
JU, GZ ;
LEE, KT .
JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (10) :5199-5201
[4]   INCORPORATION OF COLLINEAR EXACT QUANTUM REACTION PROBABILITIES INTO 3-DIMENSIONAL TRANSITION-STATE THEORY [J].
BOWMAN, JM ;
JU, GZ ;
LEE, KT .
JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (12) :2232-2239
[5]   REDUCED DIMENSIONALITY QUANTUM CALCULATIONS OF INTEGRAL CROSS-SECTIONS FOR H+H2(UPSILON=1)-]H2(UPSILON'=0),H2(UPSILON'=1)+H [J].
BOWMAN, JM ;
LEE, KT .
CHEMICAL PHYSICS LETTERS, 1983, 94 (04) :363-365
[6]   QUANTUM-MECHANICAL REACTION CROSS-SECTIONS FOR 3-DIMENSIONAL HYDROGEN-EXCHANGE REACTION [J].
ELKOWITZ, AB ;
WYATT, RE .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (06) :2504-2506
[7]   GENERALIZED TRANSITION-STATE THEORY CALCULATIONS FOR THE REACTIONS D+H2 AND H+D2 USING AN ACCURATE POTENTIAL-ENERGY SURFACE - EXPLANATION OF THE KINETIC ISOTOPE EFFECT [J].
GARRETT, BC ;
TRUHLAR, DG .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (06) :3460-3471
[8]   RELIABLE ABINITIO CALCULATION OF A CHEMICAL-REACTION RATE AND A KINETIC ISOTOPE EFFECT - H+H-2 AND H-2+H-2(2) [J].
GARRETT, BC ;
TRUHLAR, DG .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1979, 76 (10) :4755-4759
[9]   THE RATE OF THE REACTION D+H2(V=1)-]DH+H [J].
GLASS, GP ;
CHATURVEDI, BK .
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (07) :3478-3484
[10]  
HAYES EF, 1981, COMMUNICATION