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Molecular and Spin Dynamics in the Paramagnetic Endohedral Fullerene Gd 3 N@C 80

✍ Scribed by Náfrádi, B.; Antal, Á.; Pásztor, Á.; Forró, L.; Kiss, L.F.; Fehér, T.; Kováts, É.; Pekker, S.; Jánossy, A.


Book ID
115532457
Publisher
American Chemical Society
Year
2012
Tongue
English
Weight
576 KB
Volume
3
Category
Article
ISSN
1948-7185

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## Abstract An extensive study of the redox properties of metal nitride endohedral fullerenes (MNEFs) based on DFT computational calculations has been performed. The electronic structure of the singly oxidized and reduced MNEFs has been thoroughly analyzed and the first anodic and cathodic potentia