in this paper, the structural properties of the b30n20 molecule have been investigated at b3lyp/6-31g (d) level of theory. the optimized structure and electronic properties calculations for the studiedmolecule have been performed using gaussian 03 program. a mathematical equation of third degreewas exploited for the correlation and exchange energy with the number of primitives. the naturalbondi...

Humans and other animals exchange gravitational potential energy (GPE) and kinetic energy (KE) of the center of mass during level walking. How effective is this energy exchange during downhill and uphill walking? Based on previous reports and our own reasoning, we expected that during downhill walking, the possibility for mechanical energy exchange would be enhanced and during uphill walking, t...

The ground state energies of two interacting electrons confined in a coupled double quantum dot (DQD) presented in a magnetic field has been calculated by solving the relative Hamiltonian using variational and exact diagonalization methods. The singlet-triplet transitions in the angular momentum and spin of the quantum dot ground state had been shown .We have studied the magnetic field versus c...

The ground state energies of two interacting electrons confined in a coupled double quantum dot (DQD) presented in a magnetic field has been calculated by solving the relative Hamiltonian using variational and exact diagonalization methods. The singlet-triplet transitions in the angular momentum and spin of the quantum dot ground state had been shown .We have studied the magnetic field versus c...

Agreeing on a method to identify interfaces is a desirable step in order to build a database of interfacial energy. So far, the expression Sigma X Interface has been used to identify interfaces. Unfortunately, this conventional method cannot express arbitrary interface geometries. In the present work, we review interface geometries and propose a systematic Orientation Method based purely on geo...