Iranian Journal of Mathematical Chemistry
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On Nirmala Indicesbased Entropy Measures of Silicon Carbide Network
(University of Kashan, 20231201)Topological indices are numerical parameters for understanding the fundamental topology of chemical structures that correlate with the quantitative structureproperty relationship (QSPR) / quantitative structureactivity ...

The Effect of FractionalOrder Derivative for Pattern Formation of Brusselator Reaction–Diffusion Model Occurring in Chemical Reactions
(University of Kashan, 20231201)The space fractional PDEs (SFPDEs) have attracted a lot of attention. Developing highorder and stable numerical algorithms for them is the main aim of most researchers. This research work presents a fractional spectral ...

Quantization of Sombor Energy for Complete Graphs with SelfLoops of Large Size
(University of Kashan, 20231201)A selfloop graph $G_S$ is a simple graph $G$ obtained by attaching loops at $S \subseteq V(G).$ To such $G_S$ an Euclidean metric function is assigned to its vertices, forming the socalled Sombor matrix. In this ...

Shifted SecondKind Chebyshev Spectral CollocationBased Technique for TimeFractional KdVBurgers' Equation
(University of Kashan, 20231201)The main goal of this research work is to provide a numerical technique based on choosing a set of basis functions for handling the thirdorder timefractional Korteweg–De Vries Burgers' equation. The trial functions ...

Lower Bounds on the Entire Sombor Index
(University of Kashan, 20231201)Let $G=(V,E)$ be a graph. The entire Sombor index of graph $G$, $ SO^\varepsilon(G) $ is defined as the sum of the terms$\sqrt{d_{G}^2(a)+d_{G}^2(b)}$, where $a$ is either adjacent to or incident with $b$ ...

DegreeBased Function Index of Graphs with Given Connectivity
(University of Kashan, 20230901)We investigate the~ index $I_{f} (G) = \sum_{vw \in E(G)} f(d_G (v),d_G (w))$ of a graph $G$, where $f$ is a symmetric function of two variables satisfying certain conditions, $E(G)$ is the edge set of $G$, and ...

Direct Mathematical Models for Estimating the Shelf Life of Second and ZeroOrder Degradation Relationships of Food and Drugs
(University of Kashan, 20230901)Recently, a direct model for evaluating the shelf life of lemon juice, depending on the loss of ascorbic acid concentration with time was derived by AlZubaidy and Khalil (Food Chem. 101 (2017) 254–259). By using ...

On Extremal Values Of Total Structure Connectivity and NarumiKatayama Indices on the Class of all Unicyclic and Bicyclic Graphs
(University of Kashan, 20230901)The total structure connectivity and NarumiKatayama indices of a simple graph $G$ are defined as $TS(G)={\prod_{{u}\in{V(G)}}}{\frac{1}{\sqrt {{d_{u}}}}}$ and $ NK(G)={\prod_{{u}\in{V(G)}}{{d_{u}}}}$ respectively, where ...

Deficiency Sum Energy of Some Graph Classes
(University of Kashan, 20230901)In this paper, we introduce the concept of deficiency sum matrix $S_{df}(G)$ of a simple graph $G=(V,E)$ of order $n$. The deficiency $df(v)$ of a vertex $v \in V$ is the deviation between the degree of the vertex $v$ ...

Introducing Two Transformations in Fullerene Graphs, Star and SemiStar
(University of Kashan, 20230901)A perfect star packing in a given graph $G$ can be defined as a spanning subgraph of $G$, wherein each component is isomorphic to the star graph $K_{1,3}$. A perfect star packing of a fullerene graph $G$ is of type ...

General Randi´c Index of uniform Hypergraphs
(University of Kashan, 20230801)The general Randi´c index of a graph G = (V,E) was defined asR_α=∑_(u,v∈V)(d_u d_v )^α , where du is the degree of vertex u and α isan arbitrary real number. In this paper we define the Randi´c indexof a uniform hypergraph ...

Acyclic Coloring of Certain Chemical Structures
(University of Kashan, 20230801)A rapidly developing field of science and technology is nanobiotechnology. Nanotube, nanostar and polyomino chain are critical and widespread molecular structures extensively used in the domains of pharmaceuticals, chemical ...

On a Conjecture on Edge Mostar Index of Bicyclic Graphs
(University of Kashan, 20230801)For an edge e = uv of a graph G, mu(eG) denotes the number of edges closerto the vertex u than to v (similarly mv(eG)). The edge Mostar index Moe(G), of a graphG is defined as the sum of absolute differences between ...

Spectral PolySinc Collocation Method for Solving a Singular Nonlinear BVP of ReactionDiffusion with MichaelisMenten Kinetics in a Catalyst/Biocatalyst
(University of Kashan, 20230801)In this paper we revisit a nonlinear singular boundary value problem (SBVP) which arises frequently in mathematical model of diffusion and reaction in porous catalysts or biocatalyst pellets. A new simple variant of sinc ...

Some Graph Operations and Titania Nanotubes in Reformulated Yindex and Reformulated Sindex
(University of Kashan, 20230801)Topological indices are numerical values that correlate a molecular graph's physical and chemical properties. Titania nanotubes are a wellknown semiconductor with a wide range of technological applications including ...

Finding the $V_2(555 − 777)$ Double Vacancy Defect in Graphene Using Rotational Symmetry
(University of Kashan, 20230301)We use the underlying hexagonal structure of graphene to identify uniquely theposition pertaining to a divacancy defect of type $V_2(555 − 777)$. This is achieved byconsidering at most three closed path readings and the ...

Edge Metric Dimension of Fullerenes
(University of Kashan, 20230301)A $(k,6)$fullerene graph is a planar $3$connected cubic graph whose faces are $k$gons and hexagons. The aim of this paper is to study the edge metric dimension of $(3,6)$ and $(4,6)$fullerene graphs.

Entire Sombor Index of Graphs
(University of Kashan, 20230301)Let $G=(V, E)$ be a simple graph with vertex set $V$ and edge set $E$. The Sombor index of the graph $G$ is a degreebased topological index, defined as$$SO(G)=\sum_{uv \in E}\sqrt{d(u)^2+d(v)^2},$$in which $d(x)$ is the ...

On General DegreeEccentricity Index For Trees with Fixed Diameter and Number of Pendent Vertices
(University of Kashan, 20230301)The general degreeeccentricity index of a graph $G$ is defined by,$DEI_{a,b} (G) = \sum_{v \in V(G)} d_{G}^{a}(v) ecc_{G}^{b}(v)$ for $a, b \in \mathbb{R}$, where $V(G)$ is the vertex set of $G$, $ecc_{G}(v)$ is the ...

On the Number of Perfect Star Packing and Perfect Pseudo Matching in Some Fullerene Graphs
(University of Kashan, 20230301)A perfect star packing in a fullerene graph G is a spanning subgraph of G whose every component is isomorphic to the star graph K_1,3. A perfect pseudo matching of a fullerene graph G is a spanning subgraph H of G such ...