BELANZONI, Paola

BELANZONI, Paola  

DIPARTIMENTO DI CHIMICA, BIOLOGIA E BIOTECNOLOGIE  

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Titolo Data di pubblicazione Autore(i) File
"Anomalous" behavior of atomic silicon: a DFT approach to silicon surfaces 2006 Giorgi, Giacomo; Belanzoni, Paola; Cerofolini, G. F.; Sgamellotti, Antonio
A density functional investigation on d0-Zr(IV) organometallic fragments 2001 Belanzoni, Paola; Rosi, Marzio; Sgamellotti, Antonio
A density functional investigation on the structural and electronic properties of niobium–silsesquioxane and niobium-2,2′-thiobisphenolic frameworks as models of an oxo surface 2002 Belanzoni, Paola; Rosi, Marzio; Sgamellotti, Antonio
A theoretical analysis of [M(tmtaa)] and [M(acacen)] fragments employed in the organometallic chemistry of early transition metals 2002 Belanzoni, Paola; Rosi, Marzio; Sgamellotti, Antonio
A theoretical analysis of the fundamental stepwise six-electron oxidation of porphyrinogen to porphyrins: the energetics of porphodimethene and artificial porphyrin intermediates  2001 Belanzoni, Paola; Rosi, Marzio; Sgamellotti, Antonio; Lucia, Bonomo; Carlo, Floriani
A theoretical approach to a chemical system convertible into a storage cell: carbon_carbon bonds functioning as electron donor and electron acceptor units 2003 Belanzoni, Paola; S., Fantacci; Rosi, Marzio; Sgamellotti, Antonio
A theoretical approach to molecular batteries: C-C bonds functioning as electron shuttles 2004 Belanzoni, Paola; Rosi, Marzio; Sgamellotti, Antonio
Activation of the C-H bond by electrophilic attack: theoretical study of the reaction mechanism of the aerobic oxidation of alcohols to aldehydes by the Cu(bipy) 2+ /2,2,6,6-tetramethylpiperidinyl-1-oxy cocatalyst system 2009 Michel, C.; Belanzoni, Paola; Gamez, P.; Reedijk, J.; Baerends, E. J.
Activity and deactivation pathways of penthamethyl-cyclopentadienyl-iridium molecular catalysts for water oxidation 2011 Savini, Arianna; Belanzoni, Paola; Bellachioma, Gianfranco; Zuccaccia, Cristiano; Zuccaccia, Daniele; Macchioni, Alceo
Activity and degradation of organometallic iridium(III) molecular catalysts for water oxidation 2011 Macchioni, Alceo; Savini, Arianna; Belanzoni, Paola; Bellachioma, Gianfranco; Zuccaccia, Cristiano; Zuccaccia, Daniele
Activity and degradation pathways of penthamethyl-cyclopentadienyl-iridium catalysts for water oxidation 2011 Savini, Arianna; Belanzoni, Paola; Bellachioma, Gianfranco; Zuccaccia, Cristiano; D., Zuccaccia; Macchioni, Alceo
Alkyne Activation with Gold(III) Complexes: A Quantitative Assessment of the Ligand Effect by Charge-Displacement Analysis 2019 Luca, Gregori; Sorbelli, Diego; Belpassi, Leonardo; Tarantelli, Francesco; Belanzoni, Paola
An ab initio benchmark and DFT validation study on Gold(I)-catalyzed hydroamination of alkynes 2014 Ciancaleoni, Gianluca; Rampino, Sergio; Zuccaccia, D.; Tarantelli, Francesco; Belanzoni, Paola; Belpassi, Leonardo
An abiotic analogue of the diiron(IV)oxo "diamond core" of soluble methane monooxygenase generated by direct activation of O2 in aqueous Fe(II)/EDTA solutions: thermodynamics and electronic structure 2011 L., Bernasconi; Belanzoni, Paola; E. J., Baerends
An ETS-NOCV-based computational strategies for the characterization of concerted transition states involving CO2 2022 Sorbelli, Diego; Belanzoni, Paola; Belpassi, Leonardo; Lee, Ji-Woong; Ciancaleoni, Gianluca
An evaluation of the density functional approach in the zero order regular approximation for relativistic effects: magnetic interactions in small metal compounds 2001 Belanzoni, Paola; van Lenthe, E.; Baerends, E. J.
An evaluation of the density functional approach in the Zeroth Order Regular Approximation, ZORA, for relativistic effects: magnetic interactions in small metal complexes 2000 Belanzoni, Paola; van Lenthe, E.; Baerends, E. J.
Anomalous ligand effect in gold(I)-catalyzed intramolecular hydroamination of alkynes 2015 Gaggioli, CARLO ALBERTO; Ciancaleoni, Gianluca; Biasiolo, Luca; Bistoni, Giovanni; Zuccaccia, Daniele; Belpassi, Leonardo; Belanzoni, Paola; Tarantelli, Francesco
Assigning chemical configurations to the XPS features observed at pristine (100) Si surface resulting after etching in HF aqueous solution 2010 Cerofolini, G. F.; Romano, E.; Narducci, D.; Belanzoni, Paola; Giorgi, Giacomo
Atomic silicon in siloxanic matrices: a density functional approach 2004 Belanzoni, Paola; Giorgi, Giacomo; Cerofolini, G. F.; Sgamellotti, Antonio