COMPUTER-AIDED ENUMERATION AND GENERATION OF THE KEKULE STRUCTURES IN CONJUGATED HYDROCARBONS

被引:50
作者
BLAZIC, BDJ [1 ]
TRINAJSTIC, N [1 ]
机构
[1] RUDJER BOSKOVIC INST,YU-41001 ZAGREB,YUGOSLAVIA
来源
COMPUTERS & CHEMISTRY | 1982年 / 6卷 / 03期
关键词
D O I
10.1016/0097-8485(82)80005-3
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:121 / 132
页数:12
相关论文
共 44 条
[1]  
[Anonymous], 1971, ADDISONWESLEY SERIES
[2]  
[Anonymous], 1865, B SOC CHIM FR
[3]   APPLICATIONS OF ARTIFICIAL INTELLIGENCE FOR CHEMICAL INFERENCE .17. APPROACH TO COMPUTER-ASSISTED ELUCIDATION OF MOLECULAR-STRUCTURE [J].
CARHART, RE ;
SMITH, DH ;
BROWN, H ;
DJERASSI, C .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (20) :5755-5762
[4]  
CAYLEY A, 1874, PHILOS MAG, V67, P444
[5]   THE SIGNIFICANCE OF KEKULE STRUCTURES FOR THE STABILITY OF AROMATIC SYSTEMS [J].
CLAR, E ;
KEMP, W ;
STEWART, DG .
TETRAHEDRON, 1958, 3 (3-4) :325-333
[6]   ALGORITHM FOR MACHINE PERCEPTION OF SYNTHETICALLY SIGNIFICANT RINGS IN COMPLEX CYCLIC ORGANIC STRUCTURES [J].
COREY, EJ ;
PETERSSO.GA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (02) :460-&
[7]  
CRAM JM, 1978, ESSENCE ORGANIC CHEM, P341
[8]  
CVETKOVIC D, 1974, CROAT CHEM ACTA, V46, P15
[9]   GRAPHICAL STUDIES ON RELATIONS BETWEEN STRUCTURE AND REACTIVITY OF CONJUGATED SYSTEMS - ROLE OF NON-BONDING MOLECULAR-ORBITALS [J].
CVETKOVIC, D ;
GUTMAN, I ;
TRINAJSTIC, N .
JOURNAL OF MOLECULAR STRUCTURE, 1975, 28 (02) :289-303
[10]   GRAPH THEORY AND MOLECULAR-ORBITALS .7. ROLE OF RESONANCE STRUCTURES [J].
CVETKOVIC, D ;
GUTMAN, I ;
TRINAJSTIC, N .
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (07) :2700-2706