نتایج جستجو برای: chemical graph theory

تعداد نتایج: 1277645  

Journal: :iranian journal of mathematical chemistry 2011
z. yarahmadi

the first geometric-arithmetic index was introduced in the chemical theory as the summationof 2 du dv /(du  dv ) overall edges of the graph, where du stand for the degree of the vertexu. in this paper we give the expressions for computing the first geometric-arithmetic index ofhexagonal systems and phenylenes and present new method for describing hexagonal systemby corresponding a simple graph...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه سیستان و بلوچستان 1390

abstract the influence of cation?? and anion?? interactions on the strength and nature of n…h hydrogen bond has been investigated by quantum chemical calculations in s-triazine…3hf complex. ab initio calculations were performed at mp2/6-311++g(d,p) level of theory. the natural bond orbital (nbo) analysis and the bader’s quantum theory of atoms in molecules (aim) were also used to elucidate t...

M. GHORBANI S. BABARAHIM S. MORADI

The concept of geometric-arithmetic indices was introduced in the chemical graph theory. These indices are defined by the following general formula:     ( ) 2 ( ) uv E G u v u v Q Q Q Q GA G , where Qu is some quantity that in a unique manner can be associated with the vertex u of graph G. In this paper the exact formula for two types of geometric-arithmetic index of Vphenylenic nanotube ar...

2005
Ivan Gutman Sandi Klavžar

Fibonacenes (zig-zag unbranched catacondensed benzenoid hydrocarbons) are a class of polycyclic conjugated systems whose molecular graphs possess remarkable properties, often related with the Fibonacci numbers. This article is a review of the chemical graph theory of fibonacenes, with emphasis on their Kekulé–structure–related and Clar–structure–related properties. ————————————————— ∗Supported ...

Z. YARAHMADI

The first geometric-arithmetic index was introduced in the chemical theory as the summation of 2 du dv /(du  dv ) overall edges of the graph, where du stand for the degree of the vertex u. In this paper we give the expressions for computing the first geometric-arithmetic index of hexagonal systems and phenylenes and present new method for describing hexagonal system by corresponding a simple g...

In mathematical chemistry, a particular attention is given to degree-based graph invariant. The Zagrebpolynomial is one of the degree based polynomials considered in chemical graph theory. A dendrimer isan artificially manufactured or synthesized molecule built up from branched units called monomers. Inthis note, the first, second and third Zagreb poly...

Journal: :iranian journal of mathematical chemistry 2013
m. tavakoli f. rahbarnia

in this paper, we first collect the earlier results about some graph operations and then wepresent applications of these results in working with chemical graphs.

Journal: :Plasma Chemistry and Plasma Processing 2021

Abstract This work explores the following applications of graph theory to plasma chemical reaction engineering: assembly a weighted directional with key addition nodes, from published set data for air; visualisation probing network potentially useful or problematic pathways; running Dijkstra’s algorithm between all species nodes; further analysis engineering information such as which conditions...

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