Sfoglia per Autore
cis-[(η5-C5H5)Fe(η1-CO)(μ-CO)]2, the poor relative betweencisandtranstautomers. A theoretical study of the gas-phase Fe L3-edge and C and O K-edge XAS oftrans-/cis-[(η5-C5H5)Fe(η1-CO)(μ-CO)]2
2021 Carlotto, S.; Casella, G.; Sambi, M.; Casarin, M.
Heterovalent BiIII/PbIIIonic Substitution in One-Dimensional Trimethylsulfoxonium Halide Pseudo-Perovskites (X = I, Br)
2021 Pipitone, C.; Giannici, F.; Martorana, A.; Garcia-Espejo, G.; Carlotto, S.; Casarin, M.; Guagliardi, A.; Masciocchi, N.
Multireference Ab Initio Investigation on Ground and Low-Lying Excited States: Systematic Evaluation of J-J Mixing in a Eu3+ Luminescent Complex
2021 Babetto, L.; Carlotto, S.; Carlotto, A.; Rancan, M.; Bottaro, G.; Armelao, L.; Casarin, M.
Reversible redox reactions in metal-supported porphyrin: the role of spin and oxidation state
2021 Cojocariu, Iulia; Carlotto, Silvia; Zamborlini, Giovanni; Jugovac, Matteo; Schio, Luca; Floreano, Luca; Casarin, Maurizio; Feyer, Vitaliy; Schneider, Claus Michael
Ferrous to Ferric Transition in Fe-Phthalocyanine Driven by NO2 Exposure
2021 Cojocariu, I.; Carlotto, S.; Sturmeit, H. M.; Zamborlini, G.; Cinchetti, M.; Cossaro, A.; Verdini, A.; Floreano, L.; Jugovac, M.; Puschnig, P.; Piamonteze, C.; Casarin, M.; Feyer, V.; Schneider, C. M.
Nature of the Ligand-Centered Triplet State in Gd3+β-Diketonate Complexes as Revealed by Time-Resolved EPR Spectroscopy and DFT Calculations
2021 Carlotto, S.; Babetto, L.; Bortolus, M.; Carlotto, A.; Rancan, M.; Bottaro, G.; Armelao, L.; Carbonera, D.; Casarin, M.
A theoretical study of the occupied and unoccupied electronic structure of high-and intermediate-spin transition metal phthalocyaninato (Pc) complexes: VPc, CrPc, MnPc, and FePc
2021 Carlotto, S.; Sambi, M.; Sedona, F.; Vittadini, A.; Casarin, M.
DFT modelling of the CO-NO redox reaction at Cu-doped SrTiO3(1 0 0) stepped surface: CO oxidation at lattice O ions
2020 Carlotto, S; Vittadini, A; Casarin, M
The role of the dopant and structural defects on the water absorption and on the H2 formation in the Al, Co and Cu doped SrTiO3 perovskite steps
2020 Carlotto, S.
DFT modelling of the NO reduction process at the Cu-doped SrTiO3(1 0 0) stepped surface
2020 Carlotto, S.; Vittadini, A.; Casarin, M.
Cover Profile. Luminescent Thermometers: From a Library of Europium(III) β-Diketonates to a General Model for Predicting the Thermometric Behaviour of Europium-Based Coordination Systems
2020 Carlotto, A.; Babetto, L.; Carlotto, S.; Miozzi, M.; Seraglia, R.; Casarin, M.; Bottaro, G.; Rancan, M.; Armelao, L.
Antenna triplet DFT calculations to drive the design of luminescent Ln3+ complexes
2020 Babetto, Luca; Carlotto, Silvia; Carlotto, Alice; Rancan, Marzio; Bottaro, Gregorio; Armelao, Lidia; Casarin, Maurizio
Adsorption and reactivity of CO at a stepped SrTiO3(1 0 0) surface in the presence of Cu impurities
2020 Carlotto, S.; Glisenti, A.; Vittadini, A.; Casarin, M.
Mn–Cu Transmetalation as a Strategy for the Assembly of Decoupled Metal–Organic Networks on Sn/Cu(001) Surface Alloys
2020 Machaín, P.; Fuhr, J. D.; Schneider, S.; Carlotto, S.; Casarin, M.; Cossaro, A.; Verdini, A.; Floreano, L.; Lingenfelder, M.; Gayone, J. E.; Ascolani, H.
A DFT mechanistic study of the synthesis of trans-Z,Z-[PtIICl(NH3){HN = C(NH2)Me}2]Cl from addition of NH3 to trans-[PtIICl2(N[tbnd]CMe)2]
2020 Casella, G.; Carlotto, S.; Mozzon, M.; Sgarbossa, P.; Bertani, R.; Casarin, M.
On-surface synthesis of extended linear graphyne molecular wires by protecting the alkynyl group
2020 Sedona, F.; Fakhrabadi, M. M. S.; Carlotto, S.; Mohebbi, E.; De Boni, F.; Casalini, S.; Casarin, M.; Sambi, M.
Luminescent Thermometers: From a Library of Europium(III) β-Diketonates to a General Model for Predicting the Thermometric Behaviour of Europium-Based Coordination Systems
2020 Carlotto, A.; Babetto, L.; Carlotto, S.; Miozzi, M.; Seraglia, R.; Casarin, M.; Bottaro, G.; Rancan, M.; Armelao, L.
Coordinative unsaturated CuI entities are crucial intermediates governing cell internalization of copper. A combined experimental ESI-MS and DFT study
2019 Carlotto, S.; Bonna, A.; Bossak-Ahmad, K.; Bal, W.; Porchia, M.; Casarin, M.; Tisato, F.
Spin state, electronic structure and bonding on C-scorpionate [Fe(II)Cl2(tpm)] catalyst: An experimental and computational study
2019 Carlotto, S.; Casella, G.; Floreano, L.; Verdini, A.; Ribeiro, A. P. C.; Martins, L. M. D. R. S.; Casarin, M
Comparative Experimental and Theoretical Study of the C and O K-Edge X-ray Absorption Spectroscopy in Three Highly Popular, Low Spin Organoiron Complexes: [Fe(CO)5], [(η5-C5H5)Fe(CO)(μ-CO)]2, and [(η5-C5H5)2Fe]
2019 Carlotto, Silvia; Finetti, Paola; de Simone, Monica; Coreno, Marcello; Casella, Girolamo; Sambi, Mauro; Casarin, Maurizio
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