ENUMERATION AND CLASSIFICATION OF CORONOID HYDROCARBONS

被引:70
作者
BRUNVOLL, J
CYVIN, BN
CYVIN, SJ
机构
[1] Univ of Trondheim, Trondheim, Norw, Univ of Trondheim, Trondheim, Norw
来源
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1987年 / 27卷 / 01期
关键词
INFORMATION SCIENCE - Classification;
D O I
10.1021/ci00053a004
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
A coronoid is defined as a planar system of identical regular hexagons (no overlapping) with one or more holes of a size not less than two hexagons. The numbers of coronoids with h (number of hexagons) equals 8, 9, 10, 11, and 12 were found to be 1, 5, 43, 283, and 1954, respectively. A detailed report is given on a classification of the coronoids up to h equals 11. They are Kekulean or non-Kekulean. The former class is divided into catacondensed (normal), normal pericondensed, and essential disconnected (pericondensed). The non-Kekuleans (always pericondensed) are divided into obvious and concealed categories. It is pointed out that all integer values of DELTA are possible.
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页码:14 / 21
页数:8
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