In recent years,boron and boron based clusters have attracted much attention due to their intriguing physicochemical properties.Most theoretical studies of
Energy-gap modulation of BN nanoribbons (BNNRs) by various edge-modified graphene nanoribbons (GNRs) have been performed using a density functional theory a
Nonorthogonal localized molecular orbital (NOLMO) is the most localized representation of electronic degrees of freedom.As such,NOLMOs are thus potentially