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Geometric and Electronic Structures of Terbium−Silicon Mixed Clusters (TbSin; 6 ≤ n ≤ 16)

✍ Scribed by Ohara, M.; Miyajima, K.; Pramann, A.; Nakajima, A.; Kaya, K.

Book ID
111944575
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
47 KB
Volume
106
Category
Article
ISSN
1089-5639

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Theoretical study of siliconsodium binary clusters. Geometrical and electronic structures of SinNa (n = 1–7)
✍ Reiko Kishi; Atsushi Nakajima; Suehiro Iwata; Koji Kaya 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 387 KB

The geometries, ionization energies and adsorption energies of silicon-sodium binary clusters (SinNa, n = 1-7) were studied with ab initio MO calculations. All the calculations were carried out at the restricted Hartree-Fock level of approximation for both closed and open shell systems. The structur