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Entries: 1-6  
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Thermal behavior of Si-doped fullerenes vs their structural stability at T=0 K: A density functional study
Authors: Scipioni, R.; Matsubara, M.; Ruiz, E.; Massobrio, C.; Boero, M.
Date of Publication (YYYY-MM-DD): 2011
Title of Journal: Chemical Physics Letters
Volume: 510
Issue / Number: 1-3
Start Page: 14
End Page: 17
Document Type: Article
ID: 569877.0
First principles calculations of iron-doped heterofullerenes
Authors: Billas, I. M. L.; Massobrio, C.; Boero, M.; Parrinello, M.; Branz, W.; Tast, F.; Malinowski, N.; Heinebrodt, M.; Martin, T. P.
Date of Publication (YYYY-MM-DD): 2000
Title of Journal: Computational Materials Science
Volume: 17
Start Page: 191
End Page: 195
Document Type: Article
ID: 181337.0
Experimental and computational studies of heterofullerenes.
Authors: Billas, I. M. L.; Branz, W.; Malinowski, N.; Tast, F.; Heinebrodt, M.; Martin, T. P.; Massobrio, C.; Boero, M.; Parrinello, M.
Date of Publication (YYYY-MM-DD): 1999
Title of Journal: Nanostructured Materials
Volume: 12
Start Page: 1071
End Page: 1076
Document Type: Article
ID: 182066.0
Experimental and computational studies of Si-doped fullerenes.
Authors: Billas, I. M. L.; Tast, F.; Branz, W.; Malinowski, N.; Heinebrodt, M.; Martin, T. P.; Boero, M.; Massobrio, C.; Parrinello, M.
Date of Publication (YYYY-MM-DD): 1999
Title of Journal: European Physical Journal D
Volume: 9
Start Page: 337
End Page: 340
Document Type: Article
ID: 181338.0
First principles calculations of Si doped fullerenes: Structural and electronic localization properties in C59Si and C58Si2.
Authors: Billas, I. M. L.; Massobrio, C.; Boero, M.; Parrinello, M.; Branz, W.; Tast, F.; Malinowski, N.; Heinebrodt, M.; Martin, T. P.
Date of Publication (YYYY-MM-DD): 1999
Title of Journal: Journal of Chemical Physics
Volume: 111
Start Page: 6787
End Page: 6796
Document Type: Article
ID: 180569.0
Structural properties, electron localization and magnetic behavior of copper hydroxonitrate: A density functional study.
Authors: Massobrio, C.; Rabu, P.; Drillon, M.; Rovira, C.
Date of Publication (YYYY-MM-DD): 1999
Title of Journal: Journal of Physical Chemistry B
Volume: 103
Start Page: 9387
End Page: 9391
Document Type: Article
ID: 181664.0
Entries: 1-6  
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