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Theoretical study of the geometrical and electronic structures and thermochemistry of spherophanes

✍ Scribed by Amar Saal; Claude August Daul; Thibaut Jarrosson; Ourida Ouamerali

Book ID
106240041
Publisher
Springer-Verlag
Year
2009
Tongue
English
Weight
427 KB
Volume
15
Category
Article
ISSN
1610-2940

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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