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Browsing by Author "Alberto, Roger"

Browsing by Author "Alberto, Roger"

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  • [Co-II(BPyPy2COH)(OH2)(2)](2+) A Catalytic Pourbaix Diagram and AIMD Simulations on Four Key Intermediates 
    Alberto, Roger; Iannuzzi, Marcella; Gurdal, Yeliz; Probst, Benjamin (CHIMIA / SWISS CHEMICAL SOCIETY, 2019-11)
    Proton reduction by [Co-II(BPyPy2COH)(OH2)(2)](2+)(BPyPy2COH = [2,2'-bipyridin]-6-yl-di[pyridin-2-yllmethanol) proceeds through two distinct, pH-dependent pathways involving proton-coupled electron transfer (PCET), reduction ...
  • Combined orbital tomography study of multi-configurational molecular adsorbate systems 
    Kliuiev, Pavel; Zamborlini, Giovanni; Jugovac, Matteo; Gurdal, Yeliz; von Arx, Karin; Waltar, Kay; Schnidrig, Stephan; Alberto, Roger; Iannuzzi, Marcella; Feyer, Vitaliy; Hengsberger, Matthias; Osterwalder, Juerg; Castiglioni, Luca (NATURE COMMUNICATIONS / NATURE PUBLISHING GROUP, 2019-11)
    Molecular reactivity is determined by the energy levels and spatial extent of the frontier orbitals. Orbital tomography based on angle-resolved photoelectron spectroscopy is an elegant method to study the electronic structure ...