The body-centered cubic᎐face-centered cubic bcc᎐fcc structural phase Ž . stability of molybdenum Mo is studied as a function of volume with both nonrelativistic and scalar-relativistic linear combinations of Gaussian-type orbitals᎐fitting functions Ž . LCGTO᎐FF calculations. It is demonstrated that
Structure and Stability of Molybdenum Sulfide Fullerenes
✍ Scribed by Andrey N. Enyashin; Sibylle Gemming; Maya Bar-Sadan; Ronit Popovitz-Biro; Sung You Hong; Yehiam Prior; Reshef Tenne; Gotthard Seifert
- Publisher
- John Wiley and Sons
- Year
- 2007
- Tongue
- English
- Weight
- 331 KB
- Volume
- 46
- Category
- Article
- ISSN
- 0044-8249
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📜 SIMILAR VOLUMES
In this article, a new method was proposed to solve the Huckel Hamiltonian of any fullerene with a certain point group as its symmetry. This method was applied to Ž 2 . calculate the energy levels of icosahedral fullerenes C I , n s 60 h , 25 G h ) 0 , C . I , n s 20 h , 39 G h ) 0 , and C I, n s 2
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