نتایج جستجو برای: molecular graphs

تعداد نتایج: 731290  

Journal: :iranian journal of mathematical chemistry 2010
p. e. john s. aziz p. v. khadikar

structural codes vis-a-vis structural counts, like polynomials of a molecular graph, areimportant in computing graph-theoretical descriptors which are commonly known astopological indices. these indices are most important for characterizing carbon nanotubes(cnts). in this paper we have computed sadhana index (sd) for phenylenes and theirhexagonal squeezes using structural codes (counts). sadhan...

Journal: :transactions on combinatorics 2016
chandrashekar adiga b‎. ‎r‎. ‎rakshith

‎in this paper we introduce mixed unitary cayley graph $m_{n}$‎ ‎$(n>1)$ and compute its eigenvalues‎. ‎we also compute the energy of‎ ‎$m_{n}$ for some $n$‎.

Journal: :Theor. Comput. Sci. 2001
Sergei L. Bezrukov Robert Elsässer

We consider an edge-isoperimetric problem (EIP) on the cartesian powers of graphs. One of our objectives is to extend the list of graphs for whose cartesian powers the lexicographic order provides nested solutions for the EIP. We present several new classes of such graphs that include as special cases all presently known graphs with this property. Our new results are applied to derive best poss...

Journal: :Theor. Comput. Sci. 2000
Bruno Courcelle

We introduce nite relational structures called sketches, that represent edge crossings in drawings of nite graphs. We consider the problem of characterizing sketches in Monadic Second-Order logic. We answer positively the question for framed sketches, i.e., for those representing drawings of graphs consisting of a planar connected spanning subgraph (the frame) augmented with additional edges th...

Journal: :Discrete Applied Mathematics 2017
Jennifer Diemunsch Nathan Graber Lucas Kramer Victor Larsen Lauren M. Nelsen Luke L. Nelsen Devon Sigler Derrick Stolee Charlie Suer

Let c : E(G) → [k] be an edge-coloring of a graph G, not necessarily proper. For each vertex v, let c̄(v) = (a1, . . . , ak), where ai is the number of edges incident to v with color i. Reorder c̄(v) for every v in G in nonincreasing order to obtain c∗(v), the color-blind partition of v. When c∗ induces a proper vertex coloring, that is, c∗(u) 6= c∗(v) for every edge uv in G, we say that c is col...

Journal: :Journal of chemical information and computer sciences 2004
Jean-Loup Faulon Michael J. Collins Robert D. Carr

We present a new algorithm to canonize molecular graphs using the signature molecular descriptor introduced in the previous papers of this series. While developed specifically for molecular structures, the algorithm can be used for any graph and is not limited to acyclic graphs, planar graphs, bounded valence, or bounded genus graphs, for which polynomial time algorithms exist. The algorithm is...

Journal: :J. Graph Algorithms Appl. 2009
Michael Jünger Michael Schulz

We examine the simultaneous embedding with fixed edges problem for two planar graphs G1 and G2 with the focus on their intersection S = G1∩G2. In particular, we will present the complete set of intersection graphs S that guarantee a simultaneous embedding with fixed edges for (G1, G2). More formally, we define the subset ISEFE of all planar graphs as follows: A graph S lies in ISEFE if every pa...

Journal: :Theor. Comput. Sci. 1999
Bruno Courcelle

We prove that the unique decomposition of connected graphs defined by Tutte is definable by formulas of Monadic Second-Order Logic. This decomposition has two levels: every connected graph is a tree of "2-connected components" called blocks ; every 2-connected graph is a tree of so-called 3-blocks. Our proof uses 2dags which are certain acyclic orientations of the considered graphs. We obtain a...

Journal: :J. Comb. Theory, Ser. B 2005
Sang-il Oum

The rank-width is a graph parameter related in terms of fixed functions to cliquewidth but more tractable. Clique-width has nice algorithmic properties, but no good “minor” relation is known analogous to graph minor embedding for tree-width. In this paper, we discuss the vertex-minor relation of graphs and its connection with rank-width. We prove a relationship between vertex-minors of bipartit...

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