Theoretical study of the structures and stabilities of small CaC(sub n), CaC(sub n)(super +), and CaC(sub n)(super -) (n=1-8) cyclic clusters

CaC(sub n), CaC(sub n)(super +), and CaC(sub n)(super -) (n = 1-8) monocyclic clusters are studied by using the B3LYP density functional method. Predictions for several molecular properties that could help in possible experimental characterization, such as equilibrium geometries, electronic structures, dipole moments, and vibrational frequencies are reported.