A Simple Algorithm for Computing Topological Indices of Dendrimers
نویسندگان
چکیده
Dendritic macromolecules’ have attracted much attention as organic examples of well-defined nanostructures. These molecules are ideal model systems for studying how physical properties depend on molecular size and architecture. In this paper using a simple result, some GAP programs are prepared to compute Wiener and hyper Wiener indices of dendrimers.
منابع مشابه
A SIMPLE ALGORITHM FOR COMPUTING TOPOLOGICAL INDICES OF DENDRIMERS
Dendritic macromolecules’ have attracted much attention as organic examples of well-defined nanostructures. These molecules are ideal model systems for studying how physical properties depend on molecular size and architecture. In this paper using a simple result, some GAP programs are prepared to compute Wiener and hyper Wiener indices of dendrimers.
متن کاملUse of Structure Codes (Counts) for Computing Topological Indices of Carbon Nanotubes: Sadhana (Sd) Index of Phenylenes and its Hexagonal Squeezes
Structural codes vis-a-vis structural counts, like polynomials of a molecular graph, are important in computing graph-theoretical descriptors which are commonly known as topological indices. These indices are most important for characterizing carbon nanotubes (CNTs). In this paper we have computed Sadhana index (Sd) for phenylenes and their hexagonal squeezes using structural codes (counts). Sa...
متن کاملSome Topological Indices of Nanostar Dendrimers
Wiener index is a topological index based on distance between every pair of vertices in a graph G. It was introduced in 1947 by one of the pioneer of this area e.g, Harold Wiener. In the present paper, by using a new method introduced by klavžar we compute the Wiener and Szeged indices of some nanostar dendrimers.
متن کاملComputing Vertex PI Index of Tetrathiafulvalene Dendrimers
General formulas are obtained for the vertex Padmakar-Ivan index (PIv) of tetrathiafulvalene (TTF) dendrimer, whereby TTF units we are employed as branching centers. The PIv index is a Wiener-Szeged-like index developed very recently. This topological index is defined as the summation of all sums of nu(e) and nv(e), over all edges of connected graph G.
متن کاملOn computing the general Narumi-Katayama index of some graphs
The Narumi-Katayama index was the first topological index defined by the product of some graph theoretical quantities. Let $G$ be a simple graph with vertex set $V = {v_1,ldots, v_n }$ and $d(v)$ be the degree of vertex $v$ in the graph $G$. The Narumi-Katayama index is defined as $NK(G) = prod_{vin V}d(v)$. In this paper, the Narumi-Katayama index is generalized using a $n$-ve...
متن کامل