Internal Rotation of Disilane and Related Molecules:a Density Functional Study

Felipe Valencia, Aldo H. Romero, Miguel Kiwi +2

DFT calculations performed on Si_2H_6, Si_2F_6, Si_2Cl_6, and Si_2Br_6 are reported. The evolution of the energy, the chemical potential and the molecular hardness, as a function o…