Characteristic Graph vs Benzenoid Graph
Abstract:
A characteristic graph is a tree representative of its corresponding benzenoid (cyclic) graph. It may contain necessary information of several properties of benzenoids. The PI-index of benzenoids and their characteristic graphs are compared by correlating it to a structural property (π-electron energy) of the benzenoids using MLR analysis. PI index being applicable to both trees and cyclic graphs, yielded required results for benzenoid and their characteristic graph.
Author(s):
Sufia Aziz, Department of Applied Sciences (Mathematics), Institute of Engineering and Technology, DAVV, Khandwa Road, 542 020 Indore, India
DOI:
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References:
Balaban, A. T., Aziz, S., Manikpuri, A. D., Khadikar, P. V. (2011). Simple correlation for the π-electron energy and other properties of cata-condensed benzenoids. J.Indian Chem. Soc. 88, 87–97. https://doi.org/www.indianchemicalsociety.com/journal/
Balaban, A. T. (1976). Enumeration of Catafusenes, Diamondoid Hydrocarbons, and Staggered Alkane C-Rotamers. MATCH. 2, 51–61. https://doi.org/match.pmf.kg.ac.rs/electronic_versions/Match02/match2_51-61.pdf
Gupta. S. C., Kapoor, V. K. (2006). Fundamentals of Mathematical Statistics. Sultan Chand & Sons,Educational Publishers, New Delhi. https://doi.org/vijayamdigitallibrary.in/wp-content/uploads/2018/03/Fundamentals-of-Mathematical-Statistics%C2%A9digital-dinesh.pdf
John, P. E., Khadikar, P. V., Singh, J. (2007). A Method for Computing the PI Index of Benzenoid Hydrocarbons Using Orthogonal Cuts. J. Math. Chem. 42, 37–45. https://doi.org/10.1007/s10910-006-9100-2
Khadikar, P. V., Karmarkar, S., Agrawal, V. K. (2001). A Novel PI Index and its Applications to QSPR/ QSAR Studies. J. Chem. Inf. Comput. Sci. 41, 934–949. https://doi.org/10.1021/ci0003092
Khadikar, P. V., Diudea, M. V., Singh, J., John, P. E. et. al.,(2006). Use of PI Index in Computer – Aided Designing of Bioactive Compounds. Curr. Bioact. Comp. 2, 19–56. https://doi.org/10.2174/1573407210602010019
