COLLINEAR CLASSICAL DYNAMICS ON A CHEMICALLY ACCURATE H+H2 POTENTIAL-ENERGY SURFACE

被引：22

作者：

HOWARD, RE

YATES, AC

LESTER, WA

机构：

[1] IBM CORP,RES LAB,SAN JOSE,CA 95193

[2] INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47401

来源：

JOURNAL OF CHEMICAL PHYSICS | 1977年 / 66卷 / 05期

关键词：

D O I：

10.1063/1.434207

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：1960 / 1967

页数：8

共 63 条

[11] COMPARISON OF ACCURATE QUANTUM-MECHANICAL PROBABILITIES WITH CLASSICAL AND TRANSITION-STATE THEORY RESULTS FOR COLLINEAR EXCHANGE REACTION H+H2-]H2+H [J].

DIESTLER, DJ ;

KARPLUS, M .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (12) :5832-+

[12] EXACT QUANTUM-MECHANICAL REACTION PROBABILITIES FOR COLLINEAR H+ H2 REACTION ON A PORTER-KARPLUS POTENTIAL-ENERGY SURFACE [J].

DUFF, JW ;

TRUHLAR, DG .

CHEMICAL PHYSICS LETTERS, 1973, 23 (03) :327-330

[13] CLASSICAL S-MATRIX - NUMERICAL APPLICATIONS TO CLASSICALLY ALLOWED CHEMICAL-REACTIONS [J].

DUFF, JW ;

TRUHLAR, DG .

CHEMICAL PHYSICS, 1974, 4 (01) :1-23

[14] 3-DIMENSIONAL NATURAL COORDINATE ASYMMETRIC TOP THEORY OF REACTIONS - APPLICATION TO H + H2 [J].

ELKOWITZ, AB ;

WYATT, RE .

JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (02) :702-721

[15] QUANTUM-MECHANICAL REACTION CROSS-SECTIONS FOR 3-DIMENSIONAL HYDROGEN-EXCHANGE REACTION [J].

ELKOWITZ, AB ;

WYATT, RE .

JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (06) :2504-2506

[16] EFFECTS OF VARIATIONS OF POTENTIAL-ENERGY SURFACE ON ATTRIBUTES OF SIMPLE EXCHANGE-REACTIONS - CLASSICAL CALCULATIONS [J].

FONG, KP ;

DIESTLER, DJ .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (07) :3200-&

[17]

Glasstone S, 1941, THEORY RATE PROCESSE

[18]

JOHNSON HS, 1966, GAS PHASE REACTION R

[19] DYNAMICS OF REACTIVE COLLISIONS - H+H2 EXCHANGE REACTION [J].

KARPLUS, M ;

SHARMA, RD ;

PORTER, RN .

JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (07) :2033-&

[20] EXCHANGE REACTIONS WITH ACTIVATION ENERGY .I. SIMPLE BARRIER POTENTIAL FOR (H,H2) [J].

KARPLUS, M ;

SHARMA, RD .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (09) :3259-&

← 1 2 3 4 5 6 7 →