study of fullerenes by symmetry-based invariants

نویسندگانسید علیرضا اشرفی قمرودی,فاطمه کوره پزان مفتخر
همایش12th Annual Meeting of the International Academy of Mathematical Chemistry (IAMC) and the 2016 International Conference on Mathematical Chemistry (ICMC 2016)
تاریخ برگزاری همایش۲۰۱۶-۷-۴
محل برگزاری همایشتیانجین
سطح همایشبین المللی

چکیده مقاله

A molecular graph is a graph with vertices as atoms of a molecule M and edges are chemical bonds of M. A graph is called tri-connected, if there does not exist two vertices whose removal disconnects the graph. A (k,6)-fullerene graph is a cubic, planar and tri-connected graph whose faces are all k-gons or hexagons. By Euler theorem, it can be proved that k=3, 4 or 5. A fullerene is a molecule that its molecular graph is a (k,6)-fullerene graph, for some k. Graovac and Pisanski in 1991 proposed an algebraic modufication of the well-known Wiener index of a graph by considering its automorphism group. In this talk, we report our result for some classes of fullerenes.