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Hartree-fock ab initio study of relaxation and electronic structure of lithium oxide slabs

✍ Scribed by Albert Lichanot; Michel Gelize; Christiane Larrieu; Cesare Pisani


Book ID
107814824
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
944 KB
Volume
52
Category
Article
ISSN
0022-3697

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πŸ“œ SIMILAR VOLUMES


Electronic structure of endohedral Y@C82
✍ Joachim Schulte; Michael C. BΓΆhm; Klaus-Peter Dinse πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 571 KB

Parts of the potential energy surface of endohedral Y@C82 have been studied in a three-dimensional configuration space confined to the spatial degrees of freedom of Y. The optimized position of the endohedral atom is strongly off-center and corresponds to a pyracylene topology with Y located above a