Use of Structure Codes (Counts) for Computing Topological Indices of Carbon Nanotubes: Sadhana (Sd) Index of Phenylenes and its Hexagonal Squeezes

JOHN, P. E.; AZIZ, S.; KHADIKAR, P. V.

doi:10.22052/ijmc.2010.5138

Use of Structure Codes (Counts) for Computing Topological Indices of Carbon Nanotubes: Sadhana (Sd) Index of Phenylenes and its Hexagonal Squeezes

Document Type : Research Paper

Authors

P. E. JOHN ¹

S. AZIZ ²

P. V. KHADIKAR ³

¹ Technische Universitat Iimenau, Ilmenau

² Department of Applied Sciences (Mathematics), Indore

³ Laxmi Fumigation and Pest Control, Khatipura, India.

10.22052/ijmc.2010.5138

Abstract

Structural codes vis-a-vis structural counts, like polynomials of a molecular graph, are important in computing graph-theoretical descriptors which are commonly known as topological indices. These indices are most important for characterizing carbon nanotubes (CNTs). In this paper we have computed Sadhana index (Sd) for phenylenes and their hexagonal squeezes using structural codes (counts). Sadhana index is a very simple W-Sz-PItype topological index obtained by summing the number of edges on both sides of the elementary cuts of benzenoid graphs. It has the similar discriminating power as that of the Weiner (W)-, Szeged (Sz)-, and PI-indices.

Keywords

Sadhana index

Graph-theoretical descriptor

Structural codes

Structural counts phenylene

Hexagonal squeeze

Benzenoids