A GENERAL SMALL-CURVATURE APPROXIMATION FOR TRANSITION-STATE-THEORY TRANSMISSION COEFFICIENTS

被引：374

作者：

SKODJE, RT

TRUHLAR, DG

GARRETT, BC

机构：

[1] UNIV MINNESOTA, PROGRAM CHEM PHYS, MINNEAPOLIS, MN 55455 USA

[2] UNIV MINNESOTA, DEPT CHEM, MINNEAPOLIS, MN 55455 USA

[3] CHEM DYNAM CORP, COLUMBUS, OH 43220 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1981年 / 85卷 / 21期

关键词：

D O I：

10.1021/j150621a001

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：3019 / 3023

页数：5

共 33 条

[1] DYNAMICS OF HYDROGEN-ATOM AND PROTON-TRANSFER REACTIONS - SYMMETRIC CASE
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MARCUS, RA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (03) : 1790 - 1798
[2] BOWMAN JM, 1974, THESIS CALIFORNIA I
[3] SEMICLASSICAL TRANSITION-STATE THEORY FOR NONSEPARABLE SYSTEMS - APPLICATION TO COLLINEAR H+H2 REACTION
CHAPMAN, S
GARRETT, BC
MILLER, WH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (06) : 2710 - 2716
[4] 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
GARRETT, BC
TRUHLAR, DG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (06) : 3460 - 3471
[5] ACCURACY OF TUNNELING CORRECTIONS TO TRANSITION-STATE THEORY FOR THERMAL RATE CONSTANTS OF ATOM TRANSFER-REACTIONS
GARRETT, BC
TRUHLAR, DG
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1979, 83 (01) : 200 - 203
[6] GARRETT BC, 1979, J PHYS CHEM-US, V83, P3058, DOI 10.1021/j100486a600
[7] 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
[8] 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
[9] CORRECTION
GARRETT, BC
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1980, 84 (06) : 682 - 682
[10] COMPARISON OF VARIATIONAL TRANSITION-STATE THEORY AND THE UNIFIED STATISTICAL-MODEL WITH VIBRATIONALLY ADIABATIC TRANSMISSION COEFFICIENTS TO ACCURATE COLLINEAR RATE CONSTANTS FOR T+HD-]TH+D
GARRETT, BC
TRUHLAR, DG
GREV, RS
WALKER, RB
[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (01) : 235 - 240

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