Results 31 to 40 of about 157 (86)

Molecular Properties of Symmetrical Networks Using Topological Polynomials

open access: yesOpen Chemistry, 2019
A numeric quantity that comprehend characteristics of molecular graph Γ of chemical compound is known as topological index. This number is, in fact, invariant with respect to symmetry properties of molecular graph Γ.
Wang Xing-Long   +5 more
doaj   +1 more source

Finite-dimensional Zinbiel algebras and combinatorial structures

open access: yesAnalele Stiintifice ale Universitatii Ovidius Constanta: Seria Matematica, 2022
In this paper, we study the link between finite-dimensional Zinbiel algebras and combinatorial structures or (pseudo)digraphs determining which configurations are associated with those algebras.
Ceballos Manuel   +2 more
doaj   +1 more source

On the Harary index of graph operations

open access: yes, 2013
The Harary index is defined as the sum of reciprocals of distances between all pairs of vertices of a connected graph. In this paper, expressions for the Harary indices of the join, corona product, Cartesian product, composition and disjunction of graphs
K. Das   +4 more
semanticscholar   +1 more source

Topological Indices of Para-line Graphs of V-Phenylenic Nanostructures

open access: yesOpen Mathematics, 2019
The degree-based topological indices are numerical graph invariants which are used to correlate the physical and chemical properties of a molecule with its structure.
Nadeem Imran   +3 more
doaj   +1 more source

Laplacian energy and first Zagreb index of Laplacian integral graphs

open access: yesAnalele Stiintifice ale Universitatii Ovidius Constanta: Seria Matematica, 2022
The set Si,n = {0, 1, 2, …, i − 1, i + 1, …, n − 1, n}, 1 ⩽ i ⩽ n, is called Laplacian realizable if there exists a simple connected undirected graph whose Laplacian spectrum is Si,n. The existence of such graphs was established by S. Fallat et all.
Hameed Abdul   +2 more
doaj   +1 more source

The Sanskruti index of trees and unicyclic graphs

open access: yesOpen Chemistry, 2019
The Sanskruti index of a graph G is defined as S(G)=∑uv∈E(G)sG(u)sG(v)sG(u)+sG(v)−23,$$\begin{align*}S(G)=\sum_{uv\in{}E(G)}{\left(\frac{s_G(u)s_G(v)}{s_G(u)+s_G(v)-2}\right)}^3, \end{align*}$$where sG(u) is the sum of the degrees of the neighbors of a ...
Deng Fei   +6 more
doaj   +1 more source

Computation of Differential, Integral Operators and Quantitative Structure–Property Analysis of Boron α‐Icosahedral Nanosheet

open access: yesJournal of Mathematics, Volume 2025, Issue 1, 2025.
In its crystalline state, the α‐icosahedral nanosheet of boron demonstrates superconductivity and thermal electronic properties. Mathematical research on a graph’s structure yields a graph descriptor, a numerical measure. Chemical graph theory employs connectivity descriptors to analyze molecular structures, providing crucial insights into many ...
Khalil Hadi Hakami   +3 more
wiley   +1 more source

Double-Valued Neutrosophic Sets, their Minimum Spanning Trees, and Clustering Algorithm

open access: yesJournal of Intelligent Systems, 2018
Neutrosophy (neutrosophic logic) is used to represent uncertain, indeterminate, and inconsistent information available in the real world. This article proposes a method to provide more sensitivity and precision to indeterminacy, by classifying the ...
Kandasamy Ilanthenral
doaj   +1 more source

Graph-theoretical optimization of the aspirin synthesis pathway: Enhancing green chemistry in pharmaceutical manufacturing

open access: yesComputational and Mathematical Biophysics
Aspirin, one of the most widely produced and consumed pharmaceuticals globally, presents an ideal case for exploring sustainable synthesis methods in pharmaceutical manufacturing.
Rooban Sanjai Shanmugavel Kannan   +1 more
doaj   +1 more source

COMPUTING SANSKRUTI INDEX OF CAPRA-DESIGNED PLANAR BENZENOID SERIES $Ca_k(C_6)$

open access: yes, 2017
Let G = (V,E) be a molecular graph, such that vertices represent atoms and edges are chemical bonds. The Sanskruti index of a graph G is a topological index was defined as S(G) = ∑ uv∈E(G)( SuSv Su+Sv−2 ) where Su is the summation of degrees of all ...
X. Zhang   +4 more
semanticscholar   +1 more source

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