THE CLAR NUMBER OF A BENZENOID HYDROCARBON AND LINEAR-PROGRAMMING

被引：48
|
作者：
HANSEN, P
ZHENG, ML
机构：
[1] GERAD, Ecole des Hautes Etudes Commerciales, Montréal
来源：
JOURNAL OF MATHEMATICAL CHEMISTRY | 1994年 / 15卷 / 1-2期
关键词：
D O I：
10.1007/BF01277551
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
It is shown that the Clar number of a benzenoid hydrocarbon H (defined as the number of circles in a Clar formula, or equivalently as the maximum number of mutually resonant hexagons of H) can be determined by mixed-integer programming. Moreover, linear programming appears to suffice in practice to find in moderate computing time the Clar number of pericondensed hydrocarbons with more than a thousand hexagons.
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页码：93 / 107
页数：15
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