GRAPH-THEORY OF SYNTHONS

被引：10
|
作者：
KVASNICKA, V
POSPICHAL, J
机构：
来源：
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1990年 / 38卷 / 02期
关键词：
D O I：
10.1002/qua.560380222
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
A graph‐theory model of synthons is suggested. A synthon is a special kind of the molecular graph in which some vertices are distinguished from other ones, and they are called the virtual vertices. The most important property of the synthons is that the constraint of strict stoichiometry is removed and the virtual vertices formally correspond to functional groups that are not closely specified. Copyright © 1990 John Wiley & Sons, Inc.
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页码：253 / 278
页数：26
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