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DFT investigation of the geometrical and electronic structures of(X = B, N and Si) clusters

✍ Scribed by Ding Changgeng; Yang Jinlong; Cui Xiangyuan; Wang Kelin


Publisher
Springer
Year
2000
Tongue
English
Weight
208 KB
Volume
11
Category
Article
ISSN
1434-6060

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Theoretical study of siliconξ—Έsodium bina
✍ Reiko Kishi; Atsushi Nakajima; Suehiro Iwata; Koji Kaya πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 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