A(New) Method by Graph Theory for Calculating the Liquid Crystals of Polymer BOBCP
Zhang Lingfeng (Guangxi University)
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.