Rajan, R. Sundara Shantrinal, A. Arul Kumar, K. Jagadeesh Rajalaxmi, T. M. Rajasingh, Indra Balasubramanian, Krishnan
Published in
Journal of Mathematical Chemistry

The present study, which is a continuation of the previous paper, augments a recent work on the use of phylogenetic networks. We develop techniques to characterize the topology of various X-trees and binary trees of biological and phylogenetic interests. We have obtained the results for various k -level X -trees and phylogenetic networks with varia...

Rajan, R. Sundara Kumar, K. Jagadeesh Shantrinal, A. Arul Rajalaxmi, T. M. Rajasingh, Indra Balasubramanian, Krishnan
Published in
Journal of Mathematical Chemistry

We have obtained graph-theoretically based topological indices for the characterization of certain graph theoretical networks of biochemical interest. We have derived certain distance, degree and eccentricity based topological indices for various k -level hypertrees and corona product of hypertrees. We have also pointed out errors in a previous stu...

Pestana, Domingo Sigarreta, José M. Tourís, Eva
Published in
Journal of Mathematical Chemistry

The concept of geometric-arithmetic index was introduced in the chemical graph theory recently, but it has shown to be useful. The aim of this paper is to obtain new inequalities involving the geometric-arithmetic index GA1\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{...

Miraboutalebi, S. Rajaei, L.
Published in
Journal of Mathematical Chemistry

A study is undertaken to investigate an analytical solution for the N-dimensional Schrödinger equation with the Morse potential based on the Laplace transformation method. The results show that in the Pekeris approximation, the radial part of the Schrödinger equation reduces to the corresponding equation in one dimension. In addition, a comparison ...

Chicharro, Francisco I. Cordero, Alicia Martínez, Tobías H. Torregrosa, Juan R.
Published in
Journal of Mathematical Chemistry

The third-order iterative method designed by Weerakoon and Fernando includes the arithmetic mean of two functional evaluations in its expression. Replacing this arithmetic mean with different means, other iterative methods have been proposed in the literature. The evolution of these methods in terms of order of convergence implies the inclusion of ...

Luo, Xiaopeng Xu, Xin Rabitz, Herschel
Published in
Journal of Mathematical Chemistry

In this paper, a meshless Hermite-HDMR finite difference method is proposed to solve high-dimensional Dirichlet problems. The approach is based on the local Hermite-HDMR expansion with an additional smoothing technique. First, we introduce the HDMR decomposition combined with the multiple Hermite series to construct a class of Hermite-HDMR approxim...

Vigo-Aguiar, Jesus
Published in
Journal of Mathematical Chemistry

Barthel, Senja Buck, Dorothy
Published in
Journal of Mathematical Chemistry

We give explicit deformations of embeddings of abstractly planar graphs that lie on the standard torus T2⊂R3\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$T^2 \subset ...

Alolyan, Ibraheem Simos, T. E.
Published in
Journal of Mathematical Chemistry

In this paper, we introduce a new four-stages two-step fraught in phase method for the first time in this area. A complete theoretical study is presented, and the capability of the new method is sampled using systems of coupled differential equations which represent quantum chemistry problems.

Wu, Ke Fang, Yonglei Liu, Dewen
Published in
Journal of Mathematical Chemistry

In this paper, we present a new family of trigonometrically fitted two-step Obrechkoff methods for the numerical solution of one-dimensional Schrödinger equation. Error analysis is carried out and the asymptotic expressions of the local errors for large energies are discussed. The numerical results are reported in the case of the resonance problem ...