Calculating a class of integrals encountered in theoretical chemistry
The energy of a molecular graph G is defined as the summation of the absolute values of the eigenvalues of adjacency matrix of a graph G. In this paper, an infinite class of fullerene graphs with 10n vertices, n ≥ 2, is considered. By proving centrosymmetricity of the adjacency matrix of these fullerene graphs, a lower bound for its energy is given. Our method is general and can be extended to other class of fullerene graphs.
On étudie la classification des solutions du problème elliptiqueoù et une fonction changeant de signe. En utilisant une méthode de tire, On montre qu’en partant avec une dérivée initiale nulle toutes les solutions sont globales. De plus si et l’ensemble des solutions est constitué d’une seule solution à support compact et de deux familles de solutions ; celles qui sont strictement positives et celles qui changent de signes. On montre aussi que ces deux familles tendent vers l’infini quand...
During the last years the interest in the numerical simulation of reacting flows has grown considerably. Numerical methods are available, which allow to couple chemical kinetics with flow and molecular transport. However, the use of detailed physical and chemical models, involving more than 100 chemical species, and thus more than 100 species conservation equations, is restricted to very simple flow configurations like one-dimensional systems or two-dimensional systems with very simple geometries,...