A Computational Characterization of CH<sub>4</sub>@C<sub>60</sub>
The recently synthetically prepared endohedral CH<sub>4</sub>@C<sub>60</sub> was characterized here using calculations—namely its structure, energetics, thermodynamics, and vibrational spectrum. The calculations were carried out with DFT (density-functional theory) methods, namely by the DFT M06-2X...
Tallennettuna:
| Päätekijät: | , , , , |
|---|---|
| Aineistotyyppi: | Artigo |
| Kieli: | Inglês |
| Julkaistu: |
MDPI AG
2024-02-01
|
| Sarja: | Inorganics |
| Aiheet: | |
| Linkit: | https://www.mdpi.com/2304-6740/12/3/64 |
| Tagit: |
Ei tageja, Lisää ensimmäinen tagi!
|