Distance-based graphical indices for predicting thermodynamic properties of benzenoid hydrocarbons with applications

S Hayat - Computational Materials Science, 2023 - Elsevier
This paper considers all the commonly occurring distance-related graphical indices and
investigates their potential to predict thermodynamic properties of benzenoid hydrocarbons …

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 …

The Kirchhoff index and spanning trees of Möbius/cylinder octagonal chain

JB Liu, T Zhang, Y Wang, W Lin - Discrete Applied Mathematics, 2022 - Elsevier
The Kirchhoff index and degree-Kirchhoff index have attracted extensive attentions due to
their wide applications in physics and chemistry. These indices have been computed for …

Quality testing of distance-based molecular descriptors for benzenoid hydrocarbons

S Hayat, S Khan, M Imran, JB Liu - Journal of Molecular Structure, 2020 - Elsevier
In this paper, we investigate the prediction power of all the well-known distance-based
molecular structure descriptors in the literature for 22 lower polycyclic aromatic …

Distance‐based topological descriptors for measuring the π‐electronic energy of benzenoid hydrocarbons with applications to carbon nanotubes

S Hayat, S Khan, A Khan… - Mathematical Methods in …, 2020 - Wiley Online Library
In this paper, we provide efficient regression models for correlating the π‐electronic
energies of carbon nanotubes and nanocones. First, a computational technique for …

[PDF][PDF] Novel connection based Zagreb indices of several wheel-related graphs

M Javaid, U Ali, K Siddiqui - Computational Journal of …, 2021 - researchgate.net
The field of graph theory plays a useful role in cheminformatics especially in mathematics
and chemistry to develop several chemical structures with the help of numerical parameters …

[Retracted] Computing Connection‐Based Topological Indices of Dendrimers

A Sattar, M Javaid, E Bonyah - Journal of Chemistry, 2022 - Wiley Online Library
Dendrimers are artificially synthesized polymeric macromolecules composed of frequently
branching chains called monomers. Topological indices (TIs) are the molecular descriptors …

Connection‐Based multiplicative Zagreb indices of dendrimer Nanostars

A Sattar, M Javaid, E Bonyah - Journal of Mathematics, 2021 - Wiley Online Library
The field of graph theory is broadly growing and playing a remarkable role in
cheminformatics, mainly in chemistry and mathematics in develo** different chemical …

[PDF][PDF] General Gutman index of a graph

KC Das, T Vetrík - MATCH Commun. Math. Comput. Chem, 2023 - match.pmf.kg.ac.rs
General Gutman Index of a Graph 1 Introduction Page 1 MATCH Communications in
Mathematical and in Computer Chemistry MATCH Commun. Math. Comput. Chem. 89 (2023) …

Average distance in interconnection networks via reduction theorems for vertex-weighted graphs

S Klavžar, P Manuel, MJ Nadjafi-Arani… - The Computer …, 2016 - academic.oup.com
Average distance is an important parameter for measuring the communication cost of
computer networks. A popular approach for its computation is to first partition the edge set of …