EVALUATION OF DYNAMIC APPROXIMATIONS FOR CALCULATING THE EFFECT OF VIBRATIONAL-EXCITATION ON REACTION-RATES - O + H-2(N=0,1) [--] OH(N=0,1) + H

被引：42

作者：

GARRETT, BC

TRUHLAR, DG

BOWMAN, JM

WAGNER, AF

机构：

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

[2] IIT, DEPT CHEM, CHICAGO, IL 60616 USA

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

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1986年 / 90卷 / 18期

关键词：

D O I：

10.1021/j100409a017

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：4305 / 4311

页数：7

共 58 条

[41] TRAJECTORY STUDY OF O+H2 REACTIONS ON FITTED ABINITIO SURFACES .1. TRIPLET CASE [J].

SCHINKE, R ;

LESTER, WA .

JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (11) :4893-4902

[42] CHARACTERIZATION OF EXIT-CHANNEL BARRIERS FOR CHEMICAL-REACTIONS PRODUCING SPECIFIC VIBRATIONAL-STATES [J].

STECKLER, R ;

TRUHLAR, DG ;

GARRETT, BC ;

BLAIS, NC ;

WALKER, RB .

JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (12) :5700-5708

[43]

STECKLER R, UNPUB J CHEM PHYS

[44]

SUTHERLAND JW, UNPUB

[45]

Truhlar D. G., 1979, ATOM MOL COLLISION T, P595

[46]

Truhlar D. G., 1984, 20TH S INT COMB PITT, P585

[47] INCORPORATION OF QUANTUM EFFECTS IN GENERALIZED-TRANSITION-STATE THEORY [J].

TRUHLAR, DG ;

ISAACSON, AD ;

SKODJE, RT ;

GARRETT, BC .

JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (12) :2252-2261

[48] VARIATIONAL TRANSITION-STATE THEORY [J].

TRUHLAR, DG ;

GARRETT, BC .

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1984, 35 :159-189

[49] ACCURACY OF TRAJECTORY CALCULATIONS AND TRANSITION-STATE THEORY FOR THERMAL RATE CONSTANTS OF ATOM TRANSFER-REACTIONS [J].

TRUHLAR, DG .

JOURNAL OF PHYSICAL CHEMISTRY, 1979, 83 (01) :188-199

[50] CURRENT STATUS OF TRANSITION-STATE THEORY [J].

TRUHLAR, DG ;

HASE, WL ;

HYNES, JT .

JOURNAL OF PHYSICAL CHEMISTRY, 1983, 87 (15) :2664-2682

← 1 2 3 4 5 6 →