1Chemistry Department, Graduate Faculty, Islamic Azad University, P. O. Box 38135-567, Arak, Iran.
2Faculty of Science, Islamic Azad University, P.O. Box: 618, Sanandaj Iran.
*E-mail: Avat_1@Yahoo.co.uk
Graph theory is an exploration of techniques in Discrete Mathematics and its results can be applied in various fields of sciences. This theory provides many different methods of characterizing chemical structures numerically. The several concepts of graph theory have been found to be a useful tool in QSAR. One of the useful indices for examination of structure-property relationship is Randić index. In this study, is represented the structural relationship between the Randić index, transition temperatures of Nematic and Smectic-C mesophases of Alkylcyanobiphenyl homologues as the calamatic liquid crystal compounds. The field of liquid crystals is multi-disciplinary, requiring concepts from chemistry and other grounds of sciences. The interesting results of concerning among Randic indices and the transition temperatures of the mesophases in Alkylcyanobiphenyl homologues are presented.
Molecular structure, Graph theory, Randić index, Liquid crystals, Alkylcyanobiphenyl Compounds