A. Mohajeri
Shiraz University
[ 1 ] - A novel topological descriptor based on the expanded wiener index: Applications to QSPR/QSAR studies
In this paper, a novel topological index, named M-index, is introduced based on expanded form of the Wiener matrix. For constructing this index the atomic characteristics and the interaction of the vertices in a molecule are taken into account. The usefulness of the M-index is demonstrated by several QSPR/QSAR models for different physico-chemical properties and biological activities of a large...
[ 2 ] - Size Evolution Study of the Electronic and Magnetic Properties of MgO Nanoclusters
Magnesium oxide nanoclusters have attracted much attention due to their potential applications to catalysis and novel optoelectronic materials. In the present study, we have studied the electronic and magnetic properties of the stoichiometric magnesium oxide nanoclusters (MgO)n for n = 2-20. Although the binding energy increases with the size of the cluster, it re...
نویسندگان همکار