链烷烃分子结构设计(Ⅱ)基于基团组合的分子构造  

MOLECULAR DESIGN OF PARAFFINS (II) Molecular Construction Based on Group Combination

作　　者：倪力军[1] 张立国[1] 倪进方 袁渭康 

机构地区：[1]华东理工大学理学院化学系

出　　处：《计算机与应用化学》1998年第6期345-351,共7页Computers and Applied Chemistry

基　　金：国家自然科学基金

摘　　要：在已知链烃构成基团种类与个数的基础上，提出基于基团组合的链烃分子构造方法与结构子图的同构图区分方法。该法具有计算速度快、工作量小、易于在微机上实现等优点。On the basis of knowing number and type of structural groups of paraffins, a molecular construction method by group combination and an approach to distinguish isomorphic graphs, which is called structural sub graph method, are proposed. These methods have advantages on computational speed and resource, and easy to operate on microcomuters.

关 键 词：分子设计 基团组合 链烷烃 脂肪族烃 

分 类 号：O623.1[理学—有机化学]