ACCURACY OF TUNNELING CORRECTIONS TO TRANSITION-STATE THEORY FOR THERMAL RATE CONSTANTS OF ATOM TRANSFER-REACTIONS

被引:143
作者
GARRETT, BC [1 ]
TRUHLAR, DG [1 ]
机构
[1] UNIV MINNESOTA, DEPT CHEM, CHEM DYNAM LAB, MINNEAPOLIS, MN 55455 USA
关键词
D O I
10.1021/j100464a026
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
收藏
页码:200 / 203
页数:4
相关论文
共 25 条
[1]   EXACT QUANTUM-MECHANICAL STUDY OF ISOTOPIC COLLINEAR REACTIVE SYSTEMS H2+CL AND D2+CL [J].
BAER, M .
MOLECULAR PHYSICS, 1974, 27 (05) :1429-1435
[2]   COLLINEAR CL + XY SYSTEM (X,Y=H,D,T) - COMPARISON BETWEEN QUANTUM-MECHANICAL, CLASSICAL, AND TRANSITION-STATE THEORY RESULTS [J].
BAER, M ;
HALAVEE, U ;
PERSKY, A .
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (12) :5122-5131
[3]   THE TUNNEL EFFECT CORRECTION FOR PARABOLIC POTENTIAL BARRIERS [J].
BELL, RP .
TRANSACTIONS OF THE FARADAY SOCIETY, 1959, 55 (01) :1-4
[4]   SEMICLASSICAL TRANSITION-STATE THEORY FOR NONSEPARABLE SYSTEMS - APPLICATION TO COLLINEAR H+H2 REACTION [J].
CHAPMAN, S ;
GARRETT, BC ;
MILLER, WH .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (06) :2710-2716
[5]  
Johnston H. S., 1966, GAS PHASE REACTION R, P133
[6]   NEW TUNNELING PATH FOR REACTIONS SUCH AS H+H2-]H2+H [J].
MARCUS, RA ;
COLTRIN, ME .
JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (06) :2609-2613
[10]  
MARCUS RA, 1974, TECHNIQUES CHEM, V6, P13