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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