SEMI-EMPIRICAL SCF CALCULATIONS OF PYRAZOLES .1. GROUND-STATE PROPERTIES AND REACTIVITY OF ALKYLPYRAZOLES

被引:15
作者
BURTON, RE
FINAR, IL
机构
来源
JOURNAL OF THE CHEMICAL SOCIETY B-PHYSICAL ORGANIC | 1970年 / 09期
关键词
D O I
10.1039/j29700001692
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
引用
收藏
页码:1692 / &
相关论文
共 15 条
[1]   SIGMA-POLARIZATION IN 5-MEMBERED HETEROCYCLIC RING SYSTEMS [J].
ADAM, W ;
GRIMISON, A .
THEORETICA CHIMICA ACTA, 1967, 7 (04) :342-+
[2]   Ionization potentials by the CNDO/2 method [J].
Davies, D. W. .
CHEMICAL PHYSICS LETTERS, 1968, 2 (03) :173-175
[3]   Affinity values of some cyclic bases. [J].
Dedichen, G .
BERICHTE DER DEUTSCHEN CHEMISCHEN GESELLSCHAFT, 1906, 39 :1831-1856
[4]   MOLECULAR ORBITAL CALCULATIONS OF PYRAZOLES .I. ALKYL- AND ARYL-PYRAZOLES [J].
FINAR, IL .
JOURNAL OF THE CHEMICAL SOCIETY B-PHYSICAL ORGANIC, 1968, (07) :725-&
[5]   PROTON MAGNETIC RESONANCE SPECTRA OF PYRAZOLE DERIVATIVES [J].
FINAR, IL ;
MOONEY, EF .
SPECTROCHIMICA ACTA, 1964, 20 (08) :1269-1273
[6]  
GRANDBERG II, 1962, J GEN CHEM USSR, V32, P1542
[7]  
GRANDBERG II, 1962, J GEN CHEM USSR, V32, P2974
[8]  
GRANDBERG II, 1961, P ACAD SCI USSR, V141, P1251
[9]  
Hermann R. B., 1968, INT J QUANTUM CHEM, V2, P165
[10]   Calculation of dipole moments of some heterocyclic molecules by the CNDO molecular orbital method [J].
Hush, N. S. ;
Yandle, J. R. .
CHEMICAL PHYSICS LETTERS, 1967, 1 (10) :493-494