Novel Degree-Based Topological Descriptors of Carbon Nanotubes

Abstract

The most significant tool of mathematical chemistry is the numerical descriptor called topological index. Topological indices are extensively used in modelling of chemical compounds to analyse the studies on quantitative structure activity/property/toxicity relationships and combinatorial library virtual screening. In this work, an attempt is made in defining three novel descriptors, namely, neighborhood geometric-harmonic, harmonic-geometric, and neighborhood harmonic-geometric indices. Also, the aforementioned three indices along with the geometric-harmonic index are tested for physicochemical properties of octane isomers using linear regression models and computed for some carbon nanotubes.

The minimal chemical tree for the difference between geometric–arithmetic and Randić indices

“…They suggested that an index would be meaningful if it could accurately describe at least one property. For some recent works on this concept, readers are referred to [28][29][30][31][32][33][34][35][36][37][38][39][40][41][42][43]. Initially, octane isomers are used as a reference dataset for such investigation.…”

Comparative analysis of modified reverse degree topological indices for certain carbon nanosheets using entropy measures and multi criteria decision‐making analysis

“…This structure consists of alternating single and triple bonds. $$$ {C}_4{C}_8 $$$ nanosheets are classified into two types: $$$ {T}^1{C}_4{C}_8(S) $$$ with $$$ \mid V(G)\mid =8 pq $$$ and $$$ \mid E(G)\mid =12 pq-2\left(p+q\right) $$$, and $$$ {T}^2{C}_4{C}_8(R) $$$ with $$$ \mid V(G)\mid =4\left(p+q+ pq+1\right) $$$ and $$$ \mid E(G)\mid =5\left(p+q\right)+6 pq+4 $$$ [5]. These nanosheets find applications in various fields [6, 7], including sensors, protective coatings, transistors, energy storage such as batteries and supercapacitors, solar cells, and catalysis.…”

“…C 4 C 8 nanosheets are classified into two types: T 1 C 4 C 8 ðSÞ with jVðGÞj ¼ 8pq and jEðGÞj ¼ 12pq À 2ðp þ qÞ, and T 2 C 4 C 8 ðRÞ with [5]. These nanosheets find applications in various fields [6,7], including sensors, protective coatings, transistors, energy storage such as batteries and supercapacitors, solar cells, and catalysis.…”

Exploring Novel Topological Descriptors: Geometric-Harmonic and Harmonic-Geometric Descriptors for HAC and HAP Conjugates

“…Shanmukha et al [38] introduced three degree and neighborhood degree based novel indices, namely, harmonicgeometric (HGI), neighborhood harmonic-geometric (N HGI) and neighborhood geometric-harmonic (N GHI) indices motivated by the above work. They are defined as follows:…”