TEST OF TRAJECTORY CALCULATIONS AGAINST QUANTUM-MECHANICAL STATE-TO-STATE AND THERMAL COLLINEAR REACTION-RATES FOR H+CL2-]HCL+CL

被引：30

作者：

GRAY, JC

TRUHLAR, DG

BAER, M

机构：

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

[2] SOREQ NUCL RES CTR,YAVNE,ISRAEL

[3] WEIZMANN INST SCI,DEPT CHEM PHYS,REHOVOT 76100,ISRAEL

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1979年 / 83卷 / 08期

关键词：

D O I：

10.1021/j100471a030

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

页码：1045 / 1052

页数：8

共 50 条

[1] COMPARISON OF TRAJECTORY CALCULATIONS, TRANSITION-STATE THEORY, QUANTUM-MECHANICAL REACTION PROBABILITIES, AND RATE CONSTANTS FOR COLLINEAR REACTION H+CL2-]HCL+CL
TRUHLAR, DG
MERRICK, JA
DUFF, JW
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (22) : 6771 - 6783
[2] QUANTUM SOLUTION OF COLLINEAR REACTIVE SYSTEMS - H+CL2-]HCL+CL
RANKIN, CC
LIGHT, JC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (05): : 1701 - &
[3] QUANTUM CALCULATIONS OF COLLINEAR REACTIVE TRIATOMIC SYSTEMS .3. H+CL2-]HCL+CL
MILLER, G
LIGHT, JC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (04): : 1643 - &
[4] CLASSICAL CALCULATIONS OF LINEAR REACTIVE SYSTEMS - H+CL2-]HCL+CL
RUSSELL, D
LIGHT, JC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (05): : 1720 - &
[5] RATE MEASUREMENTS FOR REACTION H+CL2-]HCL+CL BY LYMAN-ALPHA FLUORESCENCE
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ZELLNER, R
[J]. BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1976, 80 (09): : 902 - 908
[6] QUASICLASSICAL STATE-TO-STATE VIBRATIONAL DISTRIBUTIONS - THE COLLINEAR REACTION H+CL2 (V=0,1)-]HCL(V')+CL
LAGANA, A
[J]. GAZZETTA CHIMICA ITALIANA, 1981, 111 (11-1): : 459 - 467
[7] Quantum dynamics calculation of reaction probability for H+Cl2 → HCl+Cl
Wang, SL
Zhao, XS
[J]. SCIENCE IN CHINA SERIES B-CHEMISTRY, 2001, 44 (03): : 225 - 233
[8] EFFECTS OF VARIATIONS IN REACTION COORDINATE EIGENVALUE AND EIGENVECTOR ON RATE AND HYDROGEN ISOTOPE-EFFECTS OF REACTION H+CL2-]HCL+CL
WEI, GJ
YANKWICH, PE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (12): : 5552 - 5560
[9] COMPARISON OF QUANTUM-MECHANICAL AND QUASI-CLASSICAL CALCULATIONS OF COLLINEAR REACTION-RATE CONSTANTS FOR H+CL2 AND D+CL2 SYSTEMS
ESSEN, H
BILLING, GD
BAER, M
[J]. CHEMICAL PHYSICS, 1976, 17 (04) : 443 - 449
[10] TRANSITION-STATE THEORY, SIEGERT EIGENSTATES, AND QUANTUM-MECHANICAL REACTION-RATES
SEIDEMAN, T
MILLER, WH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (03): : 1768 - 1780

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