Self-Assembly of Endohedral Metallofullerenes: A Decisive Role of Cooling Gas and Metal-Carbon Bonding
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DOI: 10.1039/C5NR08645K, Paper
The endohedral metallofullerene (EMF) self-assembly process in Sc/carbon vapor in the presence and absence of an inert cooling gas (helium) is systematically investigated using quantum chemical molecular dynamics simulations. It…
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