Theoretical Investigations of the Carbon Clusters C12 and Carbon Tube-alkane C12H12

Equilibrium structures and stabilities for the carbon cluster C-12 and carbon tube-alkane C12H12 were investigated by using of ab initio SCF method at the level of effective core potential 3-21G. Potential energies curves along the layer separation were calculated. The results show that there are two minima on the potential energy curve for C-12, and one for C12H12. The process of C12H12 dissociating into 2C(6)H(6) has a high barrier.