The possible geometries of Fe(HCN)n+ (n = 1~6) compounds were studied by using DFT/UB3LYP/6-31G(2df) method. The structure and ground state of each fragmental io
The structures and electronic spectra of the derivatives of C6o-P-2,4,6-triphenyl borazinc have been studied by using AM1 method. The calculated results indicat