Density functional (B3LYP) method with relativistic effective core potential(RECP) has been used to optimize the structures of UN and UN 2 molecule, whose equilibrium nuclear distance, dissociation energies , spectral constants and harmonic frequencies have been obtained.

Thermalchemical and Thermodynamic Study of UN Nuclear Fuel Prepared by Carbothermal Reaction and Nitridation;

On model for transfer of electronic transport message and UN Transport Law;