Structure and stability of GenCm-n clusters


Katircioglu S.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.629, ss.295-302, 2003 (SCI İndekslerine Giren Dergi)

  • Cilt numarası: 629
  • Basım Tarihi: 2003
  • Doi Numarası: 10.1016/s0166-1280(03)00195-7
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Sayfa Sayısı: ss.295-302

Özet

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. (C) 2003 Elsevier B.V. All rights reserved.