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

被引：46

作者：

GARRETT, BC

TRUHLAR, DG

GREV, RS

WALKER, RB

机构：

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

[2] UNIV CALIF LOS ALAMOS SCI LAB, DIV THEORET, LOS ALAMOS, NM 87545 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1980年 / 73卷 / 01期

关键词：

D O I：

10.1063/1.439922

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：235 / 240

页数：6

共 45 条

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[6] ACCURACY OF TUNNELING CORRECTIONS TO TRANSITION-STATE THEORY FOR THERMAL RATE CONSTANTS OF ATOM TRANSFER-REACTIONS [J].

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[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 [J].

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[9] GENERALIZED TRANSITION-STATE THEORY - BOND ENERGY BOND ORDER METHOD FOR CANONICAL VARIATIONAL CALCULATIONS WITH APPLICATION TO HYDROGEN-ATOM TRANSFER-REACTIONS [J].

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[10] VARIATIONAL TRANSITION-STATE THEORY - PRIMARY KINETIC ISOTOPE EFFECTS FOR ATOM TRANSFER-REACTIONS [J].

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