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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…

组合数学 · 数学 2016-05-09 Shaohui Wang , Jia-Bao Liu , Chunxiang Wang , Sakander Hayat

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…

组合数学 · 数学 2019-04-23 Prosanta Sarkar , Nilanjan De , Anita Pal

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…

组合数学 · 数学 2011-03-15 Aleksandar Ili\' c

In the last forty years, many scientists used graph theory to develop mathematical models for analyzing structures and properties of various chemical compounds. In this paper, we will establish formulas and bounds for generalized first…

组合数学 · 数学 2024-09-11 Sanju Vaidya , Jeff Chang

In this paper, four novel topological indices named as neighbourhood version of forgotten topological index (F_N), modified neighbourhood version of Forgotten topological index ($F_N^*$), neighbourhood version of second Zagreb index…

化学物理 · 物理学 2019-06-27 Sourav Mondal , Nilanjan De , Anita Pal

Carbon nanotube Y-junctions are of great interest to the next generation of innovative multi-terminal nanodevices. Topological indices are graph-theoretically based parameters that describe various structural properties of a chemical…

介观与纳米尺度物理 · 物理学 2023-01-06 Sohan Lal , Vijay Kumar Bhat , Sahil Sharma

In this paper, we examine a specific type of random chains and propose an unified approach to studying the degree-based topological indices, including their extreme values. We derive explicit analytical expressions for the expected values…

概率论 · 数学 2024-11-08 Sayle Sigarreta , Hugo Cruz-Suarez , Sergio Torralbas Fitz

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…

组合数学 · 数学 2018-05-15 Sourav Mondal , Nilanjan De , Anita Pal

The paper discusses the edge hyper-Zagreb index of a graph, which is calculated by replacing vertex degrees with edge degrees. The degree of an edge is determined by adding up the degrees of the end vertices of the edge and subtracting 2.…

综合数学 · 数学 2024-06-26 Z. Aliannejadi , S. Shafiee Alamoti

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…

组合数学 · 数学 2017-01-12 Süleyman Ediz

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…

离散数学 · 计算机科学 2019-06-18 Sourav Mondal , Nilanjan De , Anita Pal

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…

化学物理 · 物理学 2026-05-04 Kinkar Chandra Das , Jayanta Bera

Topological indices are molecular descriptors that describe the properties of chemical compounds. These topological indices correlate specific physico-chemical properties like boiling point, enthalpy of vaporization, strain energy, and…

组合数学 · 数学 2022-10-05 Haritha T , Chithra A. V.

Many types of topological indices such as degree-based topological indices, distance-based topological indices and counting related topological indices are explored during past recent years. Among degree based topological indices, Zagreb…

组合数学 · 数学 2017-05-04 V. R. Kulli , Branden Stone , Shaohui Wang , Bing Wei

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…

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…

组合数学 · 数学 2019-10-24 Haidar Ali , Farzana Kousar

In this paper, we investigate the edge-Wiener index, the Szeged index, the edge-Szeged index, and the PI index, which are some of the most studied distance-based topological indices. As the main result we show that for benzenoid systems…

组合数学 · 数学 2018-08-28 Matevž Črepnjak , Niko Tratnik

Motivated by the recently introduced topological index, the Somber index, we define a new topological index of a graph in this paper, we call it Sombor coindex. The Sombor coindex is defined by considering analogous contributions from the…

组合数学 · 数学 2022-09-21 Phanjoubam Chinglensana , Sainkupar Mn Mawiong

Measuring similarity between complex objects is a fundamental task in many scientific fields. When objects are represented as graphs, graph similarity/distance measures offer a powerful framework for quantifying structural resemblance.…

We explore the fascinating world of Circumacenes, a unique family of organic molecules. Our research demonstrarates the calculation of essential topological indices, including the first and second-Zagreb indices, as well as related…

化学物理 · 物理学 2024-10-23 Somayeh Shafiee Alamoti , Zohreh Aliannejadi
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