Ground and excited electronic states of AuH2via detachment energies on AuH2− using state-of-the-art relativistic calculations

Diego Sorbelli (1, 2) , Paola Belanzoni (1, 2) , Trond Saue (3) , Leonardo Belpassi (1)

1 SCITEC - Istituto di Scienze e Tecnologie Chimiche “Giulio Natta”
2 Department of Chemistry, Biology & Biotechnology, University of Perugia
3 GMO - Groupe THEO (LCPQ)

Domaines: Chimie théorique et/ou physique

Diego Sorbelli, Paola Belanzoni, Trond Saue, Leonardo Belpassi. Ground and excited electronic states of AuH2via detachment energies on AuH2− using state-of-the-art relativistic calculations. Physical Chemistry Chemical Physics, 2020, 22 (46), pp.26742-26752. ⟨10.1039/D0CP05204C⟩. ⟨hal-03096690⟩