"Evaluation of bonding, electron affinity, and optical properties of ..."

Alvaro Muñoz-Castro, Robert Bruce King (2017)

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DOI: 10.1002/JCC.24518

access: closed

type: Journal Article

metadata version: 2023-02-07

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Alvaro Muñoz-Castro, Robert Bruce King:
Evaluation of bonding, electron affinity, and optical properties of M@C₂₈ (M = Zr, Hf, Th, and U): Role of d- and f-orbitals in endohedral fullerenes from relativistic DFT calculations. J. Comput. Chem. 38(1): 44-50 (2017)

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