Related papers: On the Irregularity of Some Molecular Structures
A (molecular) graph in which all vertices have the same degree is known as a regular graph. According to Gutman, Hansen, and M\'elot [J. Chem. Inf. Model. 45 (2005) 222-230], it is of interest to measure the irregularity of nonregular…
In chemical graph theory, topological indices are widely used as numerical descriptors for establishing quantitative structure-property relationships (QSPR) and quantitative structure-activity relationships (QSAR). These indices…
Albertson has defined the irregularity of a simple undirected graph $G=(V,E)$ as $ \irr(G) = \sum_{uv\in E}|d_G(u)-d_G(v)|,$ where $d_G(u)$ denotes the degree of a vertex $u \in V$. Recently, this graph invariant gained interest in the…
In this paper, we define and compare four new measures of graph irregularity. We use these measures to prove upper bounds for the chromatic number and the Colin de Verdiere parameter. We also strengthen the concise Turan theorem for…
In this study we are interested mainly in investigating the relations between two graph irregularity measures which are widely used for structural irregularity characterization of connected graphs. Our study is focused on the comparison and…
An $n$-vertex graph whose degree set consists of exactly $n-1$ elements is called antiregular graph. Such type of graphs are usually considered opposite to the regular graphs. An irregularity measure ($IM$) of a connected graph $G$ is a…
In theoretical chemistry molecular structure descriptors are used for modeling physico-chemical, pharmacological, toxicologic, biological and other properties of chemical compounds. In this paper we study distance-based graph invariants and…
The topological indices $irr(G)$ related to the \emph{first Zagreb index,} $M_1(G)$ and the \emph{second Zagreb index,} $M_2(G)$ are the oldest irregularity measures researched. Alberton $[3]$ introduced the \emph{irregularity} of $G$ as…
We present a unified approach to compute the total vertex irregularity strength (tvs) of various graphs, employing a novel technique recently proposed by Barra et al. For graphs such as cycles, paths, prisms, wheels, complete graphs, helm…
The total irregularity of a graph $G$ is defined as $\irr_t(G)=1/2 \sum_{u,v \in V(G)}$ $|d_G(u)-d_G(v)|$, where $d_G(u)$ denotes the degree of a vertex $u \in V(G)$. In this paper we give (sharp) upper bounds on the total irregularity of…
Analyzing the atomic structure of glassy materials is a tremendous challenge both experimentally and computationally, and the lack of direct, detailed insights into glass structure hinders our ability to navigate structure-property…
A new graph-based order parameter is introduced for the characterization of atomistic structures. The order parameter is universal to any material/chemical system, and is transferable to all structural geometries. Three sets of data are…
The transmission of a vertex $v$ of a (chemical) graph $G$ is the sum of distances from $v$ to other vertices in $G$. If any two vertices of $G$ have different transmissions, then $G$ is a transmission irregular graph. It is shown that for…
In this note a new measure of irregularity of a simple undirected graph $G$ is introduced. It is named the total irregularity of a graph and is defined as $\irr_t(G) = 1/2\sum_{u,v \in V(G)} |d_G(u)-d_G(v)|$, where $d_G(u)$ denotes the…
The $\sigma_{t}$-irregularity (or sigma total index) is a graph invariant which is defined as $\sigma_{t}(G)=\sum_{\{u,v\}\subseteq V(G)}(d(u)-d(v))^{2},$ where $d(z)$ denotes the degree of $z$. This irregularity measure was proposed by R\'…
Consider a simple graph $G$. We call a labeling $w:E(G)\cup V(G)\rightarrow \{1, 2, \dots, s\}$ (\textit{total vertex}) \textit{product-irregular}, if all product degrees $pd_G(v)$ induced by this labeling are distinct, where…
The Fibonacci index of a graph is the number of its stable sets. This parameter is widely studied and has applications in chemical graph theory. In this paper, we establish tight upper bounds for the Fibonacci index in terms of the…
Describing the deviation of a real structure from a hypothetical higher-symmetry ideal can be a powerful tool to understand and interpret phase transitions. Here we introduce a simple yet effective metric that quantifies the degree of unit…
Chemical graphs are simple undirected connected graphs, where vertices represent atoms in a molecule and edges represent chemical bonds. A degree-based topological index is a molecular descriptor used to study specific physicochemical…
Disordered systems like liquids, gels, glasses, or granular materials are not only ubiquitous in daily life and in industrial applications but they are also crucial for the mechanical stability of cells or the transport of chemical and…