REACTION-PATH TECHNIQUE IN CLOSE-COUPLING COMPUTATIONS - H+H2

被引：69

作者：

JOHNSON, BR

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1972年 / 13卷 / 02期

关键词：

D O I：

10.1016/0009-2614(72)80070-8

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：172 / +

页数：1

共 13 条

[1] COMPARISON OF BOUNDARY-VALUE AND INITIAL-VALUE METHODS FOR ACCURATE QUANTUM-MECHANICAL SOLUTION OF COLLINEAR REACTIVE SCATTERING PROBLEM [J].

DIESTLER, DJ ;

TRUHLAR, DG ;

KUPPERMANN, A .

CHEMICAL PHYSICS LETTERS, 1972, 13 (01) :1-+

[2] CLOSE-COUPLING TECHNIQUE FOR CHEMICAL EXCHANGE REACTION OF TYPE A+BC-]AB+C H+H2-]H2+H [J].

DIESTLER, DJ .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (11) :4547-&

[3]

HOFACKER GL, 1971, CHEM PHYS LETT, V9, P617, DOI 10.1016/0009-2614(71)85144-8

[4] NEW APPROACH TO NON-ADIABATIC TRANSITIONS IN COLLISION THEORY [J].

JOHNSON, BR ;

LEVINE, RD .

CHEMICAL PHYSICS LETTERS, 1972, 13 (02) :168-&

[5] QUANTUM-MECHANICAL CALCULATIONS OF INELASTIC CROSS SECTIONS FOR ROTATIONAL EXCITATION OF PARA AND ORTHO H2 UPON COLLISION WITH HE [J].

JOHNSON, BR ;

SECREST, D .

JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (10) :4682-&

[6] RESONANCES IN REACTIVE COLLISIONS - COMPUTATIONAL STUDY OF H+H2 COLLISION [J].

LEVINE, RD ;

WU, SF .

CHEMICAL PHYSICS LETTERS, 1971, 11 (05) :557-+

[7]

LIGHT JC, 1971, METHODS COMPUTATIONA, V10, P111

[8] ON ANALYTICAL MECHANICS OF CHEMICAL REACTIONS . QUANTUM MECHANICS OF LINEAR COLLISIONS [J].

MARCUS, RA .

JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (12) :4493-+

[9] DYNAMICS OF COLLINEAR H+H2 REACTION .1. PROBABILITY DENSITY AND FLUX [J].

MCCULLOUGH, EA ;

WYATT, RE .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (08) :3578-+

[10] POTENTIAL ENERGY SURFACE FOR H3 [J].

PORTER, RN ;

KARPLUS, M .

JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (04) :1105-&

← 1 2 →