SEMI-EMPIRICAL POTENTIAL-ENERGY SURFACES FOR THE REACTIONS H+HCL-]H2+CL AND H'+HCL-]H'CL+H

被引：27

作者：

LAST, I

BAER, M

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1980年 / 73卷 / 03期

关键词：

D O I：

10.1016/0009-2614(80)80707-X

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：514 / 518

页数：5

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[1] ENERGY, ENTROPY AND REACTION COORDINATE - THERMODYNAMIC-LIKE RELATIONS IN CHEMICAL-KINETICS
AGMON, N
LEVINE, RD
[J]. CHEMICAL PHYSICS LETTERS, 1977, 52 (02) : 197 - 201
[2] COLLINEAR CL + XY SYSTEM (X,Y=H,D,T) - COMPARISON BETWEEN QUANTUM-MECHANICAL, CLASSICAL, AND TRANSITION-STATE THEORY RESULTS
BAER, M
HALAVEE, U
PERSKY, A
[J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (12) : 5122 - 5131
[3] PNO-CEPA CALCULATION OF COLLINEAR POTENTIAL-ENERGY BARRIERS FOR THERMONEUTRAL EXCHANGE-REACTIONS
BOTSCHWINA, P
MEYER, W
[J]. CHEMICAL PHYSICS, 1977, 20 (01) : 43 - 52
[4] BARRIERS FOR ABSTRACTION AND EXCHANGE IN H+HCL
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (06) : 2752 - 2753
[5] LOW-LYING STATES OF HYDROGEN-FLUORIDE - POTENTIAL-ENERGY CURVES FOR X1SIGMA+, 3SIGMA+, 3-PI AND 1-PI STATES
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (10) : 3854 - 3862
[6] A METHOD OF DIATOMICS IN MOLECULES .1. GENERAL THEORY AND APPLICATION TO H2O
ELLISON, FO
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1963, 85 (22) : 3540 - &
[7] EXCHANGE-REACTION D+HCL-]DCL+H
ENDO, H
GLASS, GP
[J]. CHEMICAL PHYSICS LETTERS, 1976, 44 (01) : 180 - 183
[8] VALENCE BOND DIATOMICS-IN-MOLECULES METHOD .2. APPLICATION TO THE VALENCE STATES OF FH2
FAIST, MB
MUCKERMAN, JT
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (01) : 233 - 254
[9] AB-INITIO AND SEMIEMPIRICAL STUDY OF MULTIPLE SURFACES AND THEIR ANALYTIC CONTINUATION FOR COLLINEAR F(P-2(3/2), P-2(1-2)+H2-]FH+H
JAFFE, RL
MOROKUMA, K
GEORGE, TF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (08) : 3417 - 3424
[10] BRANCHING RATIOS FOR H+DCL AND D+HCL REACTION SYSTEMS
KLEIN, FS
VELTMAN, I
[J]. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1978, 74 : 17 - 31