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.

引用

页码：93 / 107

页数：15

共 55 条

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