Supporting Information
| Supporting Information File 1: Additional details of the computational settings and results: encapsulation energies, molecular orbitals (MO), MO diagrams, intermediate structures in metadynamics and optimized xyz coordinates for the dimers. | ||
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Cite the Following Article
Electron-beam-promoted fullerene dimerization in nanotubes: insights from DFT computations
Laura Abella, Gerard Novell-Leruth, Josep M. Ricart, Josep M. Poblet and Antonio Rodríguez-Fortea
Beilstein J. Org. Chem. 2024, 20, 92–100.
https://doi.org/10.3762/bjoc.20.10
How to Cite
Abella, L.; Novell-Leruth, G.; Ricart, J. M.; Poblet, J. M.; Rodríguez-Fortea, A. Beilstein J. Org. Chem. 2024, 20, 92–100. doi:10.3762/bjoc.20.10
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