نتایج جستجو برای: atom bond connectivity index

تعداد نتایج: 571151  

2015
Yun Gao Tianwei Xu Li Liang Wei Gao

function f: G  , with this property that f(G1) = f(G2) if G1 and G2 are isomorphic. There are several vertex distance-based and degree-based indices which introduced to analyze the chemical properties of molecule graph. For instance: Wiener index, PI index, Szeged index, geometric-arithmetic index, atom-bond connectivity index and general sum connectivity index are introduced to test the perf...

Journal: :Molecules 2016
Mohamad Nazri Husin Roslan Hasni Nabeel Ezzulddin Arif Muhammad Imran

A topological index of graph G is a numerical parameter related to G which characterizes its molecular topology and is usually graph invariant. In the field of quantitative structure-activity (QSAR)/quantitative structure-activity structure-property (QSPR) research, theoretical properties of the chemical compounds and their molecular topological indices such as the Randić connectivity index, at...

Journal: :Journal of Chemistry 2022

Phenol formaldehyde (phenolic resin) has a wide range of moldings. However, it immense consumption in manufacturing electrical equipment due to its insulating property. Phenolic resin retains properties at the freezing point, and also age cannot be determined. Due insulator property, use equipment. In this article, degree-based topological indices phenol are determined with help M-polynomial. W...

2016
Kinkar Ch. Das

The concept of Zagreb eccentricity indices ( 1 E and 2 E ) was introduced in the chemical graph theory very recently. The eccentric connectivity index ( ) c ξ is a distance-based molecular structure descriptor that was used for mathematical modeling of biological activities of diverse nature. The second geometric-arithmetic index 2 ( ) GA was introduced in 2010, is found to be useful tool in QS...

Relative centricity RC values of vertices/atoms are calculated within the Distance Detour and Cluj-Distance criteria on their corresponding Shell transforms. The vertex RC distribution in a molecular graph gives atom equivalence classes, useful in interpretation of NMR spectra. Timed by vertex valences, RC provides a new index, called Centric Connectivity CC, which can be useful in the topologi...

Journal: :Complexity 2021

Topological indices are of incredible significance in the field graph theory. Convex polytopes play a significant role both various branches mathematics and also applied areas, most notably linear programming. We have calculated some topological such as atom-bond connectivity index, geometric arithmetic K-Banhatti indices, K-hyper-Banhatti modified from families convex through M-polynomials. Th...

2018
Shouliu Wei Xiaoling Ke Guoliang Hao

The atom-bond connectivity (ABC) index and geometric-arithmetic (GA) index are two well-studied topological indices, which are useful tools in QSPR and QSAR investigations. In this paper, we first obtain explicit formulae for the expected values of ABC and GA indices in random spiro chains, which are graphs of a class of unbranched polycyclic aromatic hydrocarbons. Based on these formulae, we t...

Journal: :Symmetry 2021

The concept of arithmetic-geometric index was recently introduced in chemical graph theory, but it has proven to be useful from both a theoretical and practical point view. aim this paper is obtain new bounds the characterize extremal graphs with respect them. Several are based on other indices, such as second variable Zagreb or general atom-bond connectivity index), some them involve parameter...

Journal: :Applied Mathematics and Computation 2017
Darko Dimitrov

The atom-bond connectivity (ABC) index is one of the most investigated degreebased molecular structure descriptors with a variety of chemical applications. It is known that among all connected graphs, the trees minimize the ABC index. However, a full characterization of trees with a minimal ABC index is still an open problem. By now, one of the proved properties is that a tree with a minimal AB...

Journal: :Discrete Applied Mathematics 2023

The problem of complete characterization trees with minimal atom-bond-connectivity index (minimal-ABC trees) is a long-standing open problem. Here firstly, we give an affirmative answer to the conjecture, which states that enough large minimal-ABC are comprised solely root vertex and so-called Dz- Dz+1-branches. Based on presented theoretical results here some already known results, obtain cons...

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