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Theoretical study on the geometric and electronic structure of the lithium-rich LinFn−1 (n=2–5) clusters

✍ Scribed by Naoki Haketa; Keiichi Yokoyama; Hiromasa Tanaka; Hiroshi Kudo

Book ID
114141741
Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
402 KB
Volume
577
Category
Article
ISSN
0166-1280

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✍ 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