THERMAL AND STATE-SELECTED RATE-CONSTANT CALCULATIONS FOR O(P-3) + H-2-] OH + H AND ISOTOPIC ANALOGS

被引：59

作者：

GARRETT, BC ^{[1
]}

TRUHLAR, DG ^{[1
]}

机构：

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

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1986年 / 29卷 / 05期

关键词：

D O I：

10.1002/qua.560290538

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：1463 / 1482

页数：20

共 73 条

[21] 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
[22] 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
[23] WKB APPROXIMATION FOR THE REACTION-PATH HAMILTONIAN - APPLICATION TO VARIATIONAL TRANSITION-STATE THEORY, VIBRATIONALLY ADIABATIC EXCITED-STATE BARRIER HEIGHTS, AND RESONANCE CALCULATIONS
GARRETT, BC
TRUHLAR, DG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (01) : 309 - 317
[24] GENERALIZED TRANSITION-STATE THEORY - BOND ENERGY BOND ORDER METHOD FOR CANONICAL VARIATIONAL CALCULATIONS WITH APPLICATION TO HYDROGEN-ATOM TRANSFER-REACTIONS
GARRETT, BC
TRUHLAR, DG
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (16) : 4534 - 4548
[25] 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
[26] GARRETT BC, 1983, J PHYS CHEM-US, V87, P4553, DOI 10.1021/j100245a601
[27] CORRECTION
GARRETT, BC
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1980, 84 (06) : 682 - 682
[28] IMPROVED CANONICAL VARIATIONAL THEORY FOR CHEMICAL-REACTION RATES - CLASSICAL MECHANICAL THEORY AND APPLICATIONS TO COLLINEAR REACTIONS
GARRETT, BC
TRUHLAR, DG
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1980, 84 (07) : 805 - 812
[29] GENERALIZED TRANSITION-STATE THEORY AND LEAST-ACTION TUNNELING CALCULATIONS FOR THE REACTION-RATES OF H(D) + H-2(N = 1)-]H-2(HD) + H
GARRETT, BC
TRUHLAR, DG
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1985, 89 (11) : 2204 - 2208
[30] RELIABLE ABINITIO CALCULATION OF A CHEMICAL-REACTION RATE AND A KINETIC ISOTOPE EFFECT - H+H-2 AND H-2+H-2(2)
GARRETT, BC
TRUHLAR, DG
[J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1979, 76 (10) : 4755 - 4759

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