[HTML][HTML] QSPR analysis of carbon allotropes by employing molecular descriptors and information entropies

MP Rahul, J Clement - Ain Shams Engineering Journal, 2023 - Elsevier
The inherent qualities of carbon nanosheets that come from their underlying molecular
structure have drawn an enormous amount of interest from researchers. Molecular …

Cut method: update on recent developments and equivalence of independent approaches

S Klavzar, MJ Nadjafi-Arani - Current Organic Chemistry, 2015 - ingentaconnect.com
The cut method is a powerful tool for the investigation of distance-based (and some other)
molecular structure-descriptors. In this paper a survey on the recent developments of the …

A new perspective on the modeling and topological characterization of H-Naphtalenic nanosheets with applications

A Ullah, A Zeb, S Zaman - Journal of Molecular Modeling, 2022 - Springer
In the past few years, two-dimensional (2D) layered nanomaterials have greatly attracted the
scientific community. Among 2D nanomaterials, the porphyrin-based Naphtalenic …

On domination topological indices of graphs

AMH Ahmed, A Alwardi, MR Salestina - International Journal of …, 2021 - etamaths.com
Topological indices and domination in graphs are the essential topics in the theory of
graphs. A set of vertices D⊆ V (G) is said to be a dominating set for G if any vertex v∈ VD is …

Note on two generalizations of the Randić index

Y Shi - Applied mathematics and computation, 2015 - Elsevier
For a given graph G, the well-known Randić index of G, introduced by Milan Randić in 1975,
is defined as R (G)=∑ uv∈ E (G)(dudv)− 1/2, where the sum is taken over all edges uv and …

On Wiener index and Wiener polarity index of some polyomino chains

S Ahmad, HMA Siddiqui, A Ali… - Journal of discrete …, 2019 - Taylor & Francis
A graph invariant is a numerical value that depicts the structural properties of an entire
graph. The Wiener index is the oldest distance based graph invariant which is defined as the …

Degree-based entropies of networks revisited

S Cao, M Dehmer - Applied Mathematics and Computation, 2015 - Elsevier
Studies on the information content of graphs and networks have been initiated in the late
fifties based on the seminal work due to Shannon and Rashevsky. Various graph …

Cacti with extremal PI index

C Wang, S Wang, B Wei - arxiv preprint arxiv:1603.00282, 2016 - arxiv.org
The vertex PI index $ PI (G)=\sum_ {xy\in E (G)}[n_ {xy}(x)+ n_ {xy}(y)] $ is a distance-based
molecular structure descriptor, where $ n_ {xy}(x) $ denotes the number of vertices which …

[PDF][PDF] Reciprocal leap indices of some wheel related graphs

S Javaraju, A Alsinai, A Alwardi, H Ahmed… - Journal of Prime …, 2021 - researchgate.net
Abstract Recently, Ammar Alsinai et al.,[1], introduced Reciprocal leap Zagreb indices of a
graph based on the inverse second degree of vertices. The first Reciprocal leap Zagreb …

Topological Indices of the Pent‐Heptagonal Nanosheets VC5C7 and HC5C7

F Deng, X Zhang, M Alaeiyan… - … in Materials Science …, 2019 - Wiley Online Library
In this paper, we computed the topological indices of pent‐heptagonal nanosheet. Formulas
for atom‐bond connectivity index, fourth atom‐bond connectivity index, Randić connectivity …