نتایج جستجو برای: molecular graph

تعداد نتایج: 827060  

M. GHORBANI M. SONGHORI

The Omega polynomial(x) was recently proposed by Diudea, based on the length of strips in given graph G. The Sadhana polynomial has been defined to evaluate the Sadhana index of a molecular graph. The PI polynomial is another molecular descriptor. In this paper we compute these three polynomials for some infinite classes of nanostructures.

Journal: :iranian journal of mathematical chemistry 2012
m. ghorbani m. songhori

the omega polynomial(x) was recently proposed by diudea, based on the length of stripsin given graph g. the sadhana polynomial has been defined to evaluate the sadhana index ofa molecular graph. the pi polynomial is another molecular descriptor. in this paper wecompute these three polynomials for some infinite classes of nanostructures.

Journal: :journal of physical & theoretical chemistry 2010
j. narafpour a. sadjadi

the do1(18c6)fi (mwli. na. k and i 8c6=18-crown-6) complexes have been chosen as the model systems toinvestigate the nature of chemical bonds between alkali metal cations and large mffitidentaie orgmnic ligands.the b3lyp/6-3i+g(d,p) level of calculation has been used for obtaining equilibrium geernetnes and p(r)functions (electron density distributions). by the aid of fundamental physical theor...

Journal: :journal of physical & theoretical chemistry 2015
h. aghaie m. monajjemi f. shafiei

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

Journal: :Angewandte Chemie International Edition 2017

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

a topological index of a molecular graph g is a numeric quantity related to g which isinvariant under symmetry properties of g. in this paper we obtain the randić, geometricarithmetic,first and second zagreb indices , first and second zagreb coindices of tensorproduct of two graphs and then the harary, schultz and modified schultz indices of tensorproduct of a graph g with complete graph of ord...

In theoretical chemistry, -modified Wiener index is a graph invariant topological index to analyze the chemical properties of molecular structure. In this note, we determine the minimum -modified Wiener index of graph with fixed connectivity or edge-connectivity. Our results also present the sufficient and necessary condition for reaching the lower bound.

Journal: :iranian journal of mathematical chemistry 2014
m. ghorbani m. songhori

the chromatic number of a graph g, denoted by χ(g), is the minimum number of colors such that g can be colored with these colors in such a way that no two adjacent vertices have the same color. a clique in a graph is a set of mutually adjacent vertices. the maximum size of a clique in a graph g is called the clique number of g. the turán graph tn(k) is a complete k-partite graph whose partition...

Let G be a connected simple (molecular) graph. The distance d(u, v) between two vertices u and v of G is equal to the length of a shortest path that connects u and v. In this paper we compute some distance based topological indices of H-Phenylenic nanotorus. At first we obtain an exact formula for the Wiener index. As application we calculate the Schultz index and modified Schultz index of this...

The chromatic number of a graph G, denoted by χ(G), is the minimum number of colors such that G can be colored with these colors in such a way that no two adjacent vertices have the same color. A clique in a graph is a set of mutually adjacent vertices. The maximum size of a clique in a graph G is called the clique number of G. The Turán graph Tn(k) is a complete k-partite graph whose partition...

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