高分子液晶BOBCP的图论计算方法  

A(New) Method by Graph Theory for Calculating the Liquid Crystals of Polymer BOBCP

作　　者：张令芬[1] 

机构地区：[1]广西大学

出　　处：《功能高分子学报》1991年第1期41-44,共4页Journal of Functional Polymers

摘　　要：随着分子中的原子数增加,高分子液晶(LCP)的Huckel分子轨道法变得冗繁及困难。本文根据图论提出一种新方法。用这种方法,将高分子液晶的复杂结构图简化成简单的结构图。具体计算了高分子液晶BOBCP的能级分布。The actual calculation of Huckel molular orbital method for liqid crystals of polymer(LCP) becomes tedious and difficult as the number of atoms in molecule increase. The goal of this paper is to derive a new method by using graph theory. Using this method, the copmlicated structural figure of LCP can be changed into a simpler one, the distribution of energy of BOBCP is calculated.

关 键 词：高分子液晶 BOBCP 能级 图论 

分 类 号：O753.2[理学—晶体学]