Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Moorby, Robin E."'
The transfer of charges, including electrons and holes, is a key step in heterogeneous catalysis, taking part in the reduction and oxidation of adsorbate species on catalyst surfaces. In plasmonic catalysis, electrons can transfer from photo-excited
Externí odkaz:
http://arxiv.org/abs/2406.12790
We compute EOM-EA-CCSD and EOM-EA-CCSDT potential energy curves and one-electron properties of several anions at bond lengths close to where these states become unbound. In the potential energy curves of the totally symmetric anions of HCl and pyrrol
Externí odkaz:
http://arxiv.org/abs/2401.10714
Autor:
Moorby RE; Department of Chemistry, KU Leuven, Celestijnenlaan 200F, B-3001 Leuven, Belgium. robin.moorby@kuleuven.be.; Department of Chemistry, University of Durham, South Road, Durham, DH1 3LE, UK., Parravicini V; Department of Chemistry, KU Leuven, Celestijnenlaan 200F, B-3001 Leuven, Belgium. robin.moorby@kuleuven.be., Alessio M; Department of Chemistry, KU Leuven, Celestijnenlaan 200F, B-3001 Leuven, Belgium. robin.moorby@kuleuven.be., Jagau TC; Department of Chemistry, KU Leuven, Celestijnenlaan 200F, B-3001 Leuven, Belgium. robin.moorby@kuleuven.be.
Publikováno v:
Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2024 Feb 22; Vol. 26 (8), pp. 6532-6539. Date of Electronic Publication: 2024 Feb 22.