Structure and stability of GenCm-n clusters

Date

2003-07-04

Author

Katırcıoğlu, Şenay

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Density functional theory method has been used to predict the structural and energetic properties of GenCm-n (n = l,m = 3-14; n = 2,m = 4-15) isomers. The optimized stable structures have been found to be linear(chain) for all GenCm-n(n = I, m = 3-9; n = 2, m = 4-10) clusters and planar(ring) for all GenCm-1 (n = 1,m = 10-14; n = 2, m = 11-15) isomers. It has been also found that the GenCm-n (n = 1, m = 3-14; n = 2, m = 4-15) clusters with odd m are more stable than those with even m.

Subject Keywords

GenCm-n clusters, Stability, Dipole moment, Density functional theory, B3LYP

URI

https://hdl.handle.net/11511/33242

Collections

Department of Physics, Article