TESTS OF COLLINEAR QUASICLASSICAL TRAJECTORY TRANSMISSION COEFFICIENT CORRECTION TO TRANSITION-STATE THEORY

被引：24

作者：

BOWMAN, JM ^{[1
]}

JU, GZ ^{[1
]}

LEE, KT ^{[1
]}

WAGNER, AF ^{[1
]}

SCHATZ, GC ^{[1
]}

机构：

[1] ARGONNE NATL LAB, DIV CHEM, ARGONNE, IL 60439 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1981年 / 75卷 / 01期

关键词：

D O I：

10.1063/1.441815

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：141 / 147

页数：7

共 36 条

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[2] BOWMAN JD, UNPUBLISHED
[3] SUDDEN ROTATION CALCULATIONS OF THE H+H2(UPSILON=1,J=0) REACTION
BOWMAN, JM
LEE, KT
[J]. CHEMICAL PHYSICS LETTERS, 1979, 64 (02) : 291 - 294
[4] SUDDEN ROTATION REACTIVE SCATTERING - THEORY AND APPLICATION TO 3-D H+H-2
BOWMAN, JM
LEE, KT
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (09) : 5071 - 5088
[5] ACCURACY OF TRANSITION-STATE THEORY FOR THRESHOLD OF CHEMICAL-REACTIONS WITH ACTIVATION-ENERGY - COLLINEAR AND 3-DIMENSIONAL H + H2
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HORNSTEIN, SM
MILLER, WH
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (04) : 892 - 894
[6] VARIATIONAL TRANSITION-STATE THEORY, VIBRATIONALLY ADIABATIC TRANSMISSION COEFFICIENTS, AND THE UNIFIED STATISTICAL-MODEL TESTED AGAINST ACCURATE QUANTAL RATE CONSTANTS FOR COLLINEAR F+H2, H+F2, AND ISOTOPIC ANALOGS
GARRETT, BC
TRUHLAR, DG
GREV, RS
MAGNUSON, AW
CONNOR, JNL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (04) : 1721 - 1728
[7] GARRETT BC, 1979, J PHYS CHEM-US, V83, P3058, DOI 10.1021/j100486a600
[8] GENERALIZED TRANSITION-STATE THEORY - QUANTUM EFFECTS FOR COLLINEAR REACTIONS OF HYDROGEN MOLECULES AND ISOTOPICALLY SUBSTITUTED HYDROGEN MOLECULES
GARRETT, BC
TRUHLAR, DG
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1979, 83 (08) : 1079 - 1112
[9] IMPROVED TREATMENT OF THRESHOLD CONTRIBUTIONS IN VARIATIONAL TRANSITION-STATE THEORY
GARRETT, BC
TRUHLAR, DG
GREV, RS
MAGNUSON, AW
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1980, 84 (13) : 1730 - 1748
[10] GENERALIZED TRANSITION-STATE THEORY - CLASSICAL MECHANICAL THEORY AND APPLICATIONS TO COLLINEAR REACTIONS OF HYDROGEN MOLECULES
GARRETT, BC
TRUHLAR, DG
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1979, 83 (08) : 1052 - 1078

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