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Symmetry lowering by cage doping in spherical superatoms Evaluation of electronic and optical properties of 18-electron W@Au12Ptn (n=0-4) superatomic clusters from relativistic DFT calculations

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https://hal-univ-rennes1.archives-ouvertes.fr/hal-02049510
Contributor : Laurent Jonchère <>
Submitted on : Tuesday, February 26, 2019 - 2:35:51 PM
Last modification on : Monday, January 27, 2020 - 9:40:41 AM

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Franck Gam, Ramiro Arratia-Perez, Samia Kahlal, Jean-Yves Saillard, Alvaro Munoz-Castro. Symmetry lowering by cage doping in spherical superatoms Evaluation of electronic and optical properties of 18-electron W@Au12Ptn (n=0-4) superatomic clusters from relativistic DFT calculations. International Journal of Quantum Chemistry, Wiley, 2019, 119 (6), ⟨10.1002/qua.25827⟩. ⟨hal-02049510⟩

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