ISOMERIZATION OF ALLENE REVERSIBLE PROPYNE IN SHOCK-WAVES AND ABINITIO CALCULATIONS

被引:43
作者
KAKUMOTO, T [1 ]
USHIROGOUCHI, T [1 ]
SAITO, K [1 ]
IMAMURA, A [1 ]
机构
[1] HIROSHIMA UNIV,FAC SCI,DEPT CHEM,NAKA KU,HIROSHIMA 730,JAPAN
关键词
D O I
10.1021/j100285a040
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
收藏
页码:183 / 189
页数:7
相关论文
共 23 条
[1]  
BENSON SW, 1976, THERMOCHEMICAL KINET, P26
[2]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].
BINKLEY, JS ;
POPLE, JA ;
HEHRE, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947
[3]  
BINKLEY JS, 1985, GAUSSIAN82
[4]   SINGLE-PULSE SHOCK-TUBE STUDIES OF HYDROCARBON PYROLYSIS .4. ISOMERIZATION OF ALLENE TO METHYLACETYLENE [J].
BRADLEY, JN ;
WEST, KO .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS I, 1975, 71 (04) :967-971
[5]  
DUPUIS M, 481 PROGR LIBR I MOL
[6]   THEORY OF THERMAL UNIMOLECULAR REACTIONS IN THE FALL-OFF RANGE .2. WEAK COLLISION RATE CONSTANTS [J].
GILBERT, RG ;
LUTHER, K ;
TROE, J .
BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1983, 87 (02) :169-177
[7]  
Glasstone S, 1941, THEORY RATE PROCESSE
[8]  
Herzberg G., 1967, MOL SPECTRA MOL STRU, VIII
[9]   ISOMERIZATION OF PROPYNE TO ALLENE IN SHOCK-WAVES [J].
HIDAKA, Y ;
CHIMORI, T ;
SUGA, M .
CHEMICAL PHYSICS LETTERS, 1985, 119 (05) :435-437
[10]   DIRECT CLUSTER-EXPANSION METHOD - APPLICATION TO GLYOXAL [J].
HIRAO, K .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (10) :5000-5010