259 citations
- Radboud University NijmegenNL5 papers
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physics.chem-ph2022★ 14 cited
Molecular Dynamics Study of Plasmon-Mediated Chemical Transformations
Xiaoyan Wu, Tammo van der Heide, Thomas Frauenheim +3
Heterogeneous catalysis of adsorbates on metallic surfaces mediated by plasmon has potential high photoelectric conversion efficiency and controllable reaction selectivity. Theoret…
physics.chem-ph2018★ 16 cited
Interplay of spin-dependent delocalization and magnetic anisotropy in the ground and excited states of [Gd@C] and [Gd@C]
Akseli Mansikkamäki, Alexey A. Popov, Qingming Deng +2
The magnetic properties and electronic structure of the ground and excited states of two recently characterized endohedral metallo-fullerenes, [Gd@C] (1) and [Gd$_…