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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 …
investigates their potential to predict thermodynamic properties of benzenoid hydrocarbons …
Cut method: update on recent developments and equivalence of independent approaches
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 …
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 …
their wide applications in physics and chemistry. These indices have been computed for …
Quality testing of distance-based molecular descriptors for benzenoid hydrocarbons
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 …
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
In this paper, we provide efficient regression models for correlating the π‐electronic
energies of carbon nanotubes and nanocones. First, a computational technique for …
energies of carbon nanotubes and nanocones. First, a computational technique for …
[PDF][PDF] Novel connection based Zagreb indices of several wheel-related graphs
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 …
and chemistry to develop several chemical structures with the help of numerical parameters …
[Retracted] Computing Connection‐Based Topological Indices of Dendrimers
Dendrimers are artificially synthesized polymeric macromolecules composed of frequently
branching chains called monomers. Topological indices (TIs) are the molecular descriptors …
branching chains called monomers. Topological indices (TIs) are the molecular descriptors …
Connection‐Based multiplicative Zagreb indices of dendrimer Nanostars
The field of graph theory is broadly growing and playing a remarkable role in
cheminformatics, mainly in chemistry and mathematics in develo** different chemical …
cheminformatics, mainly in chemistry and mathematics in develo** different chemical …
[PDF][PDF] General Gutman index of a graph
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) …
Mathematical and in Computer Chemistry MATCH Commun. Math. Comput. Chem. 89 (2023) …
Average distance in interconnection networks via reduction theorems for vertex-weighted graphs
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 …
computer networks. A popular approach for its computation is to first partition the edge set of …