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Updated: Jan 28, 2026

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
Published on: June 7, 2018
Endohedral metal-nitride cluster ordering in metallofullerene-NiII(OEP) complexes and crystals: a theoretical study
Vasilii Dubrovin1, Li-Hua Gan2, Bernd Büchner1
1IFW Dresden, Helmholtzstraße 20, 01069 Dresden, Germany. a.popov@ifw-dresden.de s.avdoshenko@gmail.com.
Abstract:
The ordering of endohedral clusterfullerenes Sc3N@C80 and YSc2N@C80 co-crystallized with Ni(OEP) and isolated complexes with Ni(OEP) have been investigated theoretically. Having used multiple orientations of M3N clusters inside the cages with Fibonacci sampling, we describe the effect of intermolecular interactions on the orientation of the endohedral cluster.
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