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

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/s0166-1280(03)00195-7

Collections

Department of Physics, Article

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Citation Formats

Ş. Katırcıoğlu, “Structure and stability of GenCm-n clusters,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 295–302, 2003, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/33242.