abstract: in this study an appropriate computational approach was presented for estimating the boiling temperatures of 41 different types of olefins and their derivatives. based on the guidelines of this approach, several structural indices related to the organic components were applied using graph theory. meanwhile, in addition to evaluating the relation between the boiling temperatures of ole...

it is well known that the chemical behavior of a compound is dependent upon the structure of itsmolecules. quantitative structure – activity relationship (qsar) studies and quantitative structure –property relationship (qspr) studies are active areas of chemical research that focus on the nature ofthis dependency. topological indices are the numerical value associated with chemical constitution...

‎the harmonic index of a connected graph $g$‎, ‎denoted by $h(g)$‎, ‎is‎ ‎defined as $h(g)=sum_{uvin e(g)}frac{2}{d_u+d_v}$‎ ‎where $d_v$ is the degree of a vertex $v$ in g‎. ‎in this paper‎, ‎expressions for the harary indices of the‎ ‎join‎, ‎corona product‎, ‎cartesian product‎, ‎composition and symmetric difference of graphs are‎ ‎derived‎.

0

the fact that the properties of a molecule are tightly connected to its structural  characteristics  is one of the fundamental concepts in chemistry. in this connection,  graph theory has been successfully applied in developing some relationships between topological indices and some thermodynamic properties. so ,  a novel method for computing the new descriptors to construct a quantitative rela...

abstract. topological indices are the numerical value associated with chemical constitution purporting for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. graph theory is a delightful playground for the exploration of proof techniques in discrete mathematics and its results have applications in many areas of sciences. a graph is a ...

abstract. topological indices are the numerical value associated with chemical constitution purporting for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. graph theory is a delightful playground for the exploration of proof techniques in discrete mathematics and its results have applications in many areas of sciences. one of the us...

let $g$ be a connected graph, and let $d[g]$ denote the double graph of $g$. in this paper, we first derive closed-form formulas for different distance based topological indices for $d[g]$ in terms of that of $g$. finally, as illustration examples, for several special kind of graphs, such as, the complete graph, the path, the cycle, etc., the explicit formulas for some distance based topologica...

The topological indices, defined as the sum of contributions of all pairs of vertices (among which are the Wiener, Harary, hyper–Wiener indices, degree distance, and many others), are expressed in terms of contributions of edges and pairs of edges.

the relationship between the randic , wiener, hosoya , balaban, schultz indices, harary numbers anddistance matrix to enthalpies of formation (airf), heat capacity, (cp) , enthalpies of combustion (ah °c ),enthalpy of vaporization (ah °vap) and normal boiling points (bpk)of c2 c10 normal alkanes isrepresented