Let G be a simple connected graph. The transmission of any vertex v of a graph G is defined as the sum of distances of a vertex v from all other vertices in a graph G. Then the distance signless Laplacian matrix of G is defined as D^{Q}(G)=D(G)+Tr(G), where D(G) denotes the distance matrix of graphs and Tr(G) is the diagonal matrix of vertex transmissions of G. For a given minimum dominating se...

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We present a method of fitting arbitrary functions to linear combinations of Gaussians. In particular, we discuss an adaptation of Prony’s method, or separation of exponentials, which allows us to automatically select appropriate exponents for these Gaussians. We then apply this technique to the selection of dealiasing sets for pseudospectral electron correlation methods. We show that it can su...

A detailed investigation of the reaction path for the thermal w x rearrangement of 3,4-dihydro-1a H-azirine 2,3-c pyrrol-2-one to yield a cyanoketene]formaldimine complex is carried out at the MP2r6-31G* and B3LYPr6-31G* levels of theory. The ring opening of the five-membered pyrrolinone ring and the formation of the nitrile group takes place in a concerted manner, presenting a significant stra...