Rapid calculation of theoretical second-order unimolecular rate constant

被引:6
作者
Forst, W. [1 ]
机构
[1] Univ Laval, Dept Chem, Quebec City, PQ G1K 7P4, Canada
关键词
D O I
10.1016/0009-2614(68)80121-6
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 simple and accurate procedure is described, using tabulated functions, that permits rapid calculation of the quantum harmonic second-order unimolecular rate constant in the strong-collision approximation. A desk calculator is the only equipment needed.
引用
收藏
页码:687 / 689
页数:3
相关论文
共 8 条
[1]  
Abramowitz M., 1965, HDB MATH FUNCTIONS F
[3]   UNIMOLECUALR DECOMPOSITION OF METHYL CHLORIDE .2. SOME REFINEMENTS OF CALCULATIONS [J].
FORST, W ;
LAURENT, PS .
CANADIAN JOURNAL OF CHEMISTRY, 1967, 45 (24) :3169-&
[4]   UNIMOLECULAR DECOMPOSITION OF METHYL CHLORIDE [J].
FORST, W ;
LAURENT, PS .
CANADIAN JOURNAL OF CHEMISTRY, 1965, 43 (11) :3052-&
[5]   TEST OF LAPLACE TRANSFORM TECHNIQUE FOR ENERGY-LEVEL DENSITY CALCULATIONS [J].
FORST, W ;
PRASIL, Z ;
STLAUREN.P .
JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (10) :3736-&
[6]  
HILSENRATH J, 1962, NBS MONOGRAPH, V49
[7]  
MILLER J, 1959, QUANTUM CHEM INTEGRA