相关论文: On the Augmented Zagreb Index
Augmented Zagreb Index is a newly defined degree based topological invariant which has been well established for its better correlation properties and is defined as $AZI(G)= \sum_{uv\in E(G)}(\frac{d_G (u)d_G (v)}{d_G (u)+ d_G (v)-2})^3 $,…
There is powerful relation between the chemical behaviour of chemical compounds and their molecular structures. Topological indices defined on these chemical molecular structures are capable to predict physical properties, chemical…
The concepts of geometric-arithmetic and harmonic indices were introduced in the area of chemical graph theory recently. They have proven to correlate well with physical and chemical properties of some molecules. The aim of this paper is to…
A topological index is a real number which is derived from a network or a graph by mathematically that characterizes the whole of its structural properties. Recently, there are various topological indices that have been introduced in…
Topological indices are numerical invariants derived from molecular graphs and play an important role in characterizing chemical compounds and predicting their properties. Among the earliest descriptors are the classical Zagreb indices…
There are various topological indices such as degree based topological indices, distance based topological indices and counting related topological indices etc. These topological indices correlate certain physicochemical properties such as…
Topological index is a numerical value associated with chemical constitution for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. In this work, some new indices based on…
Topological indices have important role in theoretical chemistry for QSPR researches. Among the all topological indices the Randi\'c and the Zagreb indices have been used more considerably than any other topological indices in chemical and…
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…
For a connected graph $G$ on at least three vertices, the augmented Zagreb index (AZI) of $G$ is defined as $$AZI(G)=\sum_{uv\in E(G)}\left(\frac{d(u)d(v)}{d(u)+d(v)-2}\right)^{3},$$ being a topological index well-correlated with the…
Recently, a couple of degree-based topological indices, defined using a geometrical point of view of a graph edge, have attracted significant attention and being extensively investigated. Furtula and Oz [Complementary Topological Indices,…
In this paper, we present a dynamic programming approach for identifying extremal polyomino chains with respect to degree-based topological indices. This approach provides an explicit recurrence and constructive algorithm that enables both…
The hyper Zagreb index is a kind of extensions of Zagreb index, used for predicting physicochemical properties of organic compounds. Given a graph $G= (V(G), E(G))$, the first hyper-Zagreb index is the sum of the square of edge degree over…
Continuing the recent work of L. Zhong and K. Xu [MATCH Commun. Math. Comput. Chem.71(2014) 627-642], we determine inequalities among several vertex-degree-based topological indices; first geometric-arithmetic index(GA), augmented Zagreb…
Let G be a simple connected molecular graph with vertex set $V(G)$ and edge set $E(G)$. One important modification of classical Zagreb index, called hyper Zagreb index $HM(G)$ is defined as the sum of squares of the degree sum of the…
Topological indices are graph invariants numeric quantities, which are utilized by researchers to analyze a variety of physiochemical aspects of molecules. The goal of developing topological indices is to give each chemical structure a…
Applications in chemistry motivated mathematicians to define different topological indices for different types of graphs. The Hyper-Zagreb index (HM) is an important tool as it integrates the first and the second Zagreb indices. In this…
Topological indices are scientific details of graphs which represents its topology and of the most part graph invariant. In QSAR/QSPR, physico-chemical characteristics and topological indices, for example, atom bond connectivity (ABC) and…
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…
The first Zagreb index of a graph $G$ is the sum of squares of the vertex degrees in a graph and the second Zagreb index of $G$ is the sum of products of degrees of adjacent vertices in $G$. The imbalance of an edge in $G$ is the numerical…