A computational study of the electronic structure and stability of complexes formed between Zeolite Y and boric acid was carried out at the HF and B3LYP levels using 6-31G* basis set. Five structures located as local minimum in PES of complex (structures d, e, f, g, and h). The most stable structure is formed due to hydrogen bonding between two hydroxyl of boric acid and both oxygen of ...

The local complement G ∗ i of a simple graph G at one of its vertices i is obtained by complementing the subgraph induced by the neighborhood of i and leaving the rest of the graph unchanged. If e = {i, j} is an edge of G then G ∗ e = ((G ∗ i) ∗ j) ∗ i is called the edge-local complement of G along the edge e. We call two graphs edge-locally equivalent if they are related by a sequence of edge-...

a computational study of the electronic structure and stability of complexes formed between zeolite y and boric acid was carried out at the hf and b3lyp levels using 6-31g* basis set. five structures located as local minimum in pes of complex (structures d, e, f, g, and h). the most stable structure is formed due to hydrogen bonding between two hydroxyl of boric acid and both oxygen of ...

G is a König-Egerváry graph provided α(G) +μ(G) = |V (G)|, where μ(G) is the size of a maximum matching and α(G) is the cardinality of a maximum stable set, [3], [22]. S is a local maximum stable set of G, and we write S ∈ Ψ(G), if S is a maximum stable set of the subgraph induced by S ∪N(S), where N(S) is the neighborhood of S, [12]. Nemhauser and Trotter Jr. proved that any S ∈ Ψ(G) is a subs...

Nonparametric estimation of mutual information is used in a wide range of scientific problems to quantify dependence between variables. The k-nearest neighbor (knn) methods are consistent, and therefore expected to work well for a large sample size. These methods use geometrically regular local volume elements. This practice allows maximum localization of the volume elements, but can also induc...

Let G = (V,E) be a finite graph, and f : V → N be any function. The Local Search problem consists in finding a local minimum of the function f on G, that is a vertex v such that f(v) is not larger than the value of f on the neighbors of v in G. In this note, we first prove a separation theorem slightly stronger than the one of Gilbert, Hutchinson and Tarjan for graphs of constant genus. This re...

We prove two generalizations of the Cheeger’s inequality. The first generalization relates the second eigenvalue to the edge expansion and the vertex expansion of the graph G, λ2 = Ω(φ V (G) · φ(G)), where φ (G) denotes the robust vertex expansion of G and φ(G) denotes the edge expansion of G. The second generalization relates the second eigenvalue to the edge expansion and the expansion profil...