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 - Archive ouverte HAL Access content directly
Journal Articles International Journal of Quantum Chemistry Year : 2019

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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Submitted on : Tuesday, February 26, 2019-2:35:51 PM

Last modification on : Friday, March 24, 2023-2:53:09 PM

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hal-02049510 , version 1 (26-02-2019)

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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, 2019, 119 (6), ⟨10.1002/qua.25827⟩. ⟨hal-02049510⟩

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UNIV-RENNES1 CNRS INSA-RENNES ISCR ISCR-CTI INC-CNRS UR1-UFR-SPM UNIV-RENNES INSA-GROUPE UR1-MMS
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