COMPARISON OF TRAJECTORY CALCULATIONS, TRANSITION-STATE THEORY, QUANTUM-MECHANICAL REACTION PROBABILITIES, AND RATE CONSTANTS FOR COLLINEAR REACTION H+CL2-]HCL+CL

被引：44

作者：

TRUHLAR, DG ^{[1
]}

MERRICK, JA ^{[1
]}

DUFF, JW ^{[1
]}

机构：

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

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1976年 / 98卷 / 22期

关键词：

D O I：

10.1021/ja00438a001

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：6771 / 6783

页数：13

共 50 条

[1] TEST OF TRAJECTORY CALCULATIONS AGAINST QUANTUM-MECHANICAL STATE-TO-STATE AND THERMAL COLLINEAR REACTION-RATES FOR H+CL2-]HCL+CL
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TRUHLAR, DG
BAER, M
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1979, 83 (08): : 1045 - 1052
[2] QUANTUM SOLUTION OF COLLINEAR REACTIVE SYSTEMS - H+CL2-]HCL+CL
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (05): : 1701 - &
[3] QUANTUM CALCULATIONS OF COLLINEAR REACTIVE TRIATOMIC SYSTEMS .3. H+CL2-]HCL+CL
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LIGHT, JC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (04): : 1643 - &
[4] RATE MEASUREMENTS FOR REACTION H+CL2-]HCL+CL BY LYMAN-ALPHA FLUORESCENCE
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[J]. BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1976, 80 (09): : 902 - 908
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ESSEN, H
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[J]. CHEMICAL PHYSICS, 1976, 17 (04) : 443 - 449
[6] EFFECTS OF VARIATIONS IN REACTION COORDINATE EIGENVALUE AND EIGENVECTOR ON RATE AND HYDROGEN ISOTOPE-EFFECTS OF REACTION H+CL2-]HCL+CL
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YANKWICH, PE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (12): : 5552 - 5560
[7] COMPARISON OF TRANSITION-STATE THEORY AND QUANTUM-MECHANICAL REACTION PROBABILITIES FOR REACTION H2+F-]H+HF
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (04): : 1684 - 1685
[8] COMPARISON OF ACCURATE QUANTUM-MECHANICAL PROBABILITIES WITH CLASSICAL AND TRANSITION-STATE THEORY RESULTS FOR COLLINEAR EXCHANGE REACTION H+H2-]H2+H
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KARPLUS, M
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (12): : 5832 - +
[9] Quantum dynamics calculation of reaction probability for H+Cl2 → HCl+Cl
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Zhao, XS
[J]. SCIENCE IN CHINA SERIES B-CHEMISTRY, 2001, 44 (03): : 225 - 233
[10] QUANTUM CALCULATIONS ON THE COLLINEAR REACTION CL+HCL .1. STUDY ON OSCILLATIONS OF THE REACTION PROBABILITIES
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[J]. ACTA CHIMICA SINICA, 1990, 48 (08) : 731 - 736

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