QUANTUM-DYNAMIC STUDY OF THE CL+H2-]CLH+H REACTION

被引:32
作者
LAUNAY, JM [1 ]
PADKJAER, SB [1 ]
机构
[1] AARHUS UNIV,DEPT CHEM,DK-8000 AARHUS,DENMARK
关键词
D O I
10.1016/0009-2614(91)90338-A
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
A close-coupling calculation of cross sections for the Cl + H-2 --> ClH + H reaction has been performed using the hyperspherical method, from threshold up to the opening of the nu' = 2 manifold of the ClH product molecule.
引用
收藏
页码:95 / 99
页数:5
相关论文
共 23 条
[1]   EXACT QUANTUM-MECHANICAL STUDY OF ISOTOPIC COLLINEAR REACTIVE SYSTEMS H2+CL AND D2+CL [J].
BAER, M .
MOLECULAR PHYSICS, 1974, 27 (05) :1429-1435
[2]  
GOTTING R, 1986, J CHEM PHYS, V85, P6396, DOI 10.1063/1.451470
[3]   MULTICHANNEL LOG-DERIVATIVE METHOD FOR SCATTERING CALCULATIONS [J].
JOHNSON, BR .
JOURNAL OF COMPUTATIONAL PHYSICS, 1973, 13 (03) :445-449
[4]   HYPERSPHERICAL CLOSE-COUPLING CALCULATION OF INTEGRAL CROSS-SECTIONS FOR THE REACTION H+H2-]H2+H [J].
LAUNAY, JM ;
LEDOURNEUF, M .
CHEMICAL PHYSICS LETTERS, 1989, 163 (2-3) :178-188
[5]   QUANTUM-MECHANICAL CALCULATION OF INTEGRAL CROSS-SECTIONS FOR THE REACTION F+H2(V=0,J=0)-]FH(V'J')+H BY THE HYPERSPHERICAL METHOD [J].
LAUNAY, JM ;
LEDOURNEUF, M .
CHEMICAL PHYSICS LETTERS, 1990, 169 (06) :473-481
[6]  
LAUNAY JM, 1991, IN PRESS THEORET CHI
[7]   QUANTUM STUDY OF ELECTRONICALLY NONADIABATIC COLLINEAR REACTIONS .1. HYPERSPHERICAL DESCRIPTION OF THE ELECTRONUCLEAR DYNAMICS [J].
LEPETIT, B ;
LAUNAY, JM ;
LEDOURNEUF, M .
CHEMICAL PHYSICS, 1986, 106 (01) :103-110
[8]  
LEPETIT B, UNPUB
[9]   OPACITY ANALYSIS OF STERIC REQUIREMENTS IN ELEMENTARY CHEMICAL-REACTIONS [J].
LEVINE, RD ;
BERNSTEIN, RB .
CHEMICAL PHYSICS LETTERS, 1984, 105 (05) :467-471
[10]  
LEVINE RD, 1987, MOL REACTION DYNAMIC