DFT Calculations of Structure and IR Spectra of M@C<sub>60</sub> and M<sub>2</sub>@C<sub>60</sub> Endofullerenes (M=Sc and Y)
The endohedral metallofullerenes with a rare-earth metal encapsulated into the carbon cage are nanoparticles with potentially wide applications. We present the results of our quantum-chemical modelling of Sc@<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics...
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| Hlavní autoři: | , , , |
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| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
MDPI AG
2025-08-01
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| Edice: | Molecules |
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| On-line přístup: | https://www.mdpi.com/1420-3049/30/16/3421 |
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