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Small clusters of vacancies and helium in molybdenum

โœ Scribed by Fastenau, R. H. J. ;Caspers, L. M. ;van Veen, A.


Publisher
John Wiley and Sons
Year
1976
Tongue
English
Weight
656 KB
Volume
34
Category
Article
ISSN
0031-8965

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Small molybdenum clusters up to the tetramer are investigated within the framework of the density functional theory. Both the geometry and the spin state are optimized for the dimer, trimer, and the tetramer. Moreover, all those calculations are followed by a vibrational analysis to discriminate bet