ON THE ENUMERATION AND GENERATION OF POLYHEX HYDROCARBONS

被引：38

作者：

MULLER, WR

SZYMANSKI, K

KNOP, JV

NIKOLIC, S

TRINAJSTIC, N

机构：

[1] RUDJER BOSKOVIC INST, POB 1016, YU-41001 Zagreb, YUGOSLAVIA

[2] UNIV DUSSELDORF, CTR COMP, W-4000 DUSSELDORF 1, GERMANY

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 1990年 / 11卷 / 02期

关键词：

D O I：

10.1002/jcc.540110208

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A novel efficient computer‐oriented approach, based on the DAST (dualist angle‐restricted spanning tree) code, is introduced for enumeration and generation of planar polyhex hydrocarbons. It is much faster than other approaches in the literature. The numbers of planar polyhex hydrocarbons with 14 hexagons are reported for the first time. Copyright © 1990 John Wiley & Sons, Inc.

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页码：223 / 235

页数：13

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