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Density functional study of bromine-doped lithium clusters

✍ Scribed by Şentürk, Şükrü; Ünal, Arslan; Kalfa, Orhan Murat


Book ID
121330874
Publisher
Elsevier
Year
2013
Tongue
English
Weight
810 KB
Volume
1023
Category
Article
ISSN
2210-271X

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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