A QUANTUM-MECHANICAL STUDY OF THE REACTION H+HF(NU-JMJ)-]HF(NU'J'MJ')+H - EXACT AND CENTRIFUGAL DECOUPLING CALCULATIONS IN HYPERSPHERICAL COORDINATES

被引:27
作者
LEPETIT, B
LAUNAY, JM
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D O I
10.1016/0009-2614(88)85290-4
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 ;
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页码:287 / 295
页数:9
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[1]  
AQUILANTI V, 1985, THEORY CHEM REACTION, P383
[2]   CLOSE-COUPLING CALCULATIONS ON THE H + BRH-]HBR + H REACTION IN 3 DIMENSIONS [J].
CLARY, DC .
JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (04) :1685-1692
[3]  
CLARY DC, 1985, THEORY CHEM REACTION, P331
[4]   A METHOD FOR THE NUMERICAL INTEGRATION OF DIFFERENTIAL EQUATIONS OF 2ND ORDER WITHOUT EXPLICIT 1ST DERIVATIVES [J].
DEVOGELAERE, R .
JOURNAL OF RESEARCH OF THE NATIONAL BUREAU OF STANDARDS, 1955, 54 (03) :119-125
[5]  
Fock V., 1958, KGL NORSKE VIDENSKAB, V31, P138
[6]   L-2 SOLUTION OF THE QUANTUM-MECHANICAL REACTIVE SCATTERING PROBLEM - THE THRESHOLD ENERGY FOR D + H-2(V=1) -] HD + H [J].
HAUG, K ;
SCHWENKE, DW ;
SHIMA, Y ;
TRUHLAR, DG ;
ZHANG, J ;
KOURI, DJ .
JOURNAL OF PHYSICAL CHEMISTRY, 1986, 90 (26) :6757-6759
[7]   ACCURATE QUANTUM-MECHANICAL REACTION PROBABILITIES FOR THE REACTION O+H2-]OH+H [J].
HAUG, K ;
SCHWENKE, DW ;
TRUHLAR, DG ;
ZHANG, YC ;
ZHANG, JZH ;
KOURI, DJ .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (03) :1892-1894
[8]   LIFETIME ANALYSIS OF HIGH-ENERGY RESONANCES IN 3-DIMENSIONAL REACTIVE SCATTERING [J].
HIPES, PG ;
KUPPERMANN, A .
CHEMICAL PHYSICS LETTERS, 1987, 133 (01) :1-7
[9]  
HOOD DM, 1985, THEOYR CHEM REACTION, P193
[10]   THE CLASSICAL DYNAMICS OF 3 PARTICLES IN HYPERSPHERICAL COORDINATES [J].
JOHNSON, BR .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (04) :1906-1915