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Author:Karl-Erik Thylwe , Patrick McCabe
Data Source:[J].Journal of Mathematical Chemistry(IF 1.226), 2017, Vol.55 (8), pp.1638-1648Springer
Abstract:A decomposition of Legendre polynomials into propagating angular waves is derived with the aid of an amplitude-phase method. This decomposition is compared with the ’Nussenzveig/Fuller’ so called near/far-side decomposition of Legendre polynomials. The latter decomposition r...
Author:José Zúñiga , Adolfo Bastida , Alberto Requena
Data Source:[J].Journal of Mathematical Chemistry(IF 1.226), 2017, Vol.55 (10), pp.1964-1984Springer
Abstract:Normal coordinates can be defined as orthogonal linear combinations of coordinates that remove the second order couplings in coupled harmonic oscillator systems. In this paper we go further and explore the possibility of using linear although non-orthogonal coordinate transformat...
Author:Chuanqi Xiao , Haiyan Chen , Lu Liu
Data Source:[J].Journal of Mathematical Chemistry(IF 1.226), 2017, Vol.55 (9), pp.1878-1886Springer
Abstract:Let G be a (molecule) graph. A perfect matching, or kekulé structure and dimer covering, in a graph G is a set of pairwise nonadjacent edges of G that spans the vertices of G . In this paper, we obtained the explicit expression for the expectation of the number of perfect ma...
Author:I. K. Argyros , Á. A. Magreñán , L. Orcos ...
Data Source:[J].Journal of Mathematical Chemistry(IF 1.226), 2017, Vol.55 (7), pp.1427-1442Springer
Abstract:We present a local convergence analysis for a relaxed two-step Newton-like method. We use this method to approximate a solution of a nonlinear equation in a Banach space setting. Hypotheses on the first Fréchet derivative and on the center divided-difference of order one are...
Author:Dmitriy B. Berg , T. E. Simos
Data Source:[J].Journal of Mathematical Chemistry(IF 1.226), 2017, Vol.55 (8), pp.1521-1547Springer
Abstract:It is of twelfth algebraic order.
Author:Dževad Belkić , Karen Belkić
Data Source:[J].Journal of Mathematical Chemistry(IF 1.226), 2017, Vol.55 (10), pp.2004-2047Springer
Abstract:The recently introduced concept of envelope partitioning for shape estimation within the fast Padé transform (FPT) is presently further explored and solidified. Earlier, noise-free time signals were used and the results were reported for a single model order K . Currently, p...
Author:Andrés Cedillo
Data Source:[J].Journal of Mathematical Chemistry(IF 1.226), 2017, Vol.55 (10), pp.1889-1892Springer
Abstract:The role of the degeneracy in the computation of the Shannon entropy in a two-dimensional cyclic box is analyzed to complement the discussion started by Corzo et al. (J Math Chem 50:233, 2012 ). Even though the density and, consequently, the Shannon entropy are ill defined in a d...
Author:Dmitriy B. Berg , T. E. Simos
Data Source:[J].Journal of Mathematical Chemistry(IF 1.226), 2017, Vol.55 (5), pp.1213-1235Springer
Abstract:For the first time in the literature we develop in this paper a three stages symmetric six-step scheme with twelfth algebraic and eliminated phase-lag and its first derivative. An additional characteristic of the new scheme is that the first and the second layer denote the a...
Author:Nan Lu , Yuxiang Bu , Guimei Luo
Data Source:[J].Journal of Mathematical Chemistry(IF 1.226), 2017, Vol.55 (6), pp.1301-1321Springer
Abstract:2Cu-mediated DNA dipyrimidine base pairs and 3Cu-mediated ones are designed and determined at the DFT level. The multi-Cu decoration modulates the orbital hybridization, which exhibits increased structural stability, reduced ionization potentials and HOMO–LUMO gaps. The Cu d...

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