COMPARISON OF VARIATIONAL TRANSITION-STATE THEORY AND QUANTUM SUDDEN CALCULATIONS OF 3-DIMENSIONAL RATE COEFFICIENTS FOR THE REACTIONS D(H)+BRH-]DBR(HBR)+H

被引：36

作者：

CLARY, DC ^{[1
]}

GARRETT, BC ^{[1
]}

TRUHLAR, DG ^{[1
]}

机构：

[1] UNIV MINNESOTA,DEPT CHEM,MINNEAPOLIS,MN 55455

来源：

JOURNAL OF CHEMICAL PHYSICS | 1983年 / 78卷 / 02期

关键词：

D O I：

10.1063/1.444829

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：777 / 782

页数：6

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共 48 条

[31] SEMI-EMPIRICAL 3-DIMENSIONAL POTENTIAL-ENERGY SURFACES SUITABLE FOR BOTH REACTION CHANNELS OF THE FH2,CLH2 SYSTEM
LAST, I
BAER, M
[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (01) : 288 - 299
[32] LAST I, COMMUNICATION
[33] R MATRIX APPROACH TO SOLUTION OF COUPLED EQUATIONS FOR ATOM-MOLECULE REACTIVE SCATTERING
LIGHT, JC
WALKER, RB
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (10) : 4272 - 4282
[34] LIU B, 1973, J CHEM PHYS, V58, P1924
[35] NEW TUNNELING PATH FOR REACTIONS SUCH AS H+H2-]H2+H
MARCUS, RA
COLTRIN, ME
[J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (06) : 2609 - 2613
[36] MOLECULAR-BEAM KINETICS - EXCHANGE-REACTIONS OF DEUTERIUM ATOMS WITH HYDROGEN HALIDES
MCDONALD, JD
HERSCHBACH, DR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (12) : 4740 - 4744
[37] QUANTUM-MECHANICAL CLOSE COUPLING APPROACH TO MOLECULAR COLLISIONS - JZ-CONSERVING COUPLED STATES APPROXIMATION
MCGUIRE, P
KOURI, DJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (06) : 2488 - 2499
[38] TRANSITION-STATE THEORY
PECHUKAS, P
[J]. ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1981, 32 : 159 - 177
[39] QUANTUM-MECHANICAL REACTIVE SCATTERING FOR 3-DIMENSIONAL ATOM PLUS DIATOM SYSTEMS .2. ACCURATE CROSS-SECTIONS FOR H+H2
SCHATZ, GC
KUPPERMANN, A
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (11) : 4668 - 4692
[40] ACCURATE 3-DIMENSIONAL POTENTIAL-ENERGY SURFACE FOR H-3
SIEGBAHN, P
LIU, B
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (05) : 2457 - 2465

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