EXACT QUANTUM-MECHANICAL REACTION PROBABILITIES FOR COLLINEAR H+ H2 REACTION ON A PORTER-KARPLUS POTENTIAL-ENERGY SURFACE

被引：46

作者：

DUFF, JW ^{[1
]}

TRUHLAR, DG ^{[1
]}

机构：

[1] UNIV MINNESOTA,DEPT CHEM,CHEM DYNAM LAB,MINNEAPOLIS,MN 55455

来源：

CHEMICAL PHYSICS LETTERS | 1973年 / 23卷 / 03期

关键词：

D O I：

10.1016/0009-2614(73)85089-4

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：327 / 330

页数：4

共 27 条

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BOWMAN, JM ;

KUPPERMANN, A ;

ADAMS, JT ;

TRUHLAR, DG .

CHEMICAL PHYSICS LETTERS, 1973, 20 (03) :229-232

[2] QUANTUM-MECHANICAL TREATMENT OF INELASTIC COLLISIONS .2. EXCHANGE REACTIONS [J].

DIESTLER, DJ ;

MCKOY, V .

JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (07) :2951-&

[3] 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-+

[4] 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-+

[5] 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-&

[6] COMPLEX-VALUED CLASSICAL TRAJECTORIES FOR LINEAR REACTIVE COLLISIONS OF H+H2 BELOW CLASSICAL THRESHOLD [J].

GEORGE, TF ;

MILLER, WH .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (11) :5722-&

[7] CLASSICAL S-MATRIX THEORY OF REACTIVE TUNNELING - LINEAR H+H2 COLLISIONS [J].

GEORGE, TF ;

MILLER, WH .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (06) :2458-&

[8] DISTORTED-WAVE APPROXIMATION FOR CHEMICAL REACTIONS [J].

GILBERT, RG ;

GEORGE, TF .

CHEMICAL PHYSICS LETTERS, 1973, 20 (02) :187-192

[9] REACTION-PATH TECHNIQUE IN CLOSE-COUPLING COMPUTATIONS - H+H2 [J].

JOHNSON, BR .

CHEMICAL PHYSICS LETTERS, 1972, 13 (02) :172-+

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

MARCUS, RA .

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

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