Butera, Valeria
Butera, Valeria
Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche
Alkoxysilane production from silica and dimethylcarbonate catalyzed by alkali bases: A quantum chemical investigation of the reaction mechanism
2018-01-01 Valeria Butera; Norihisa Fukaya; Jun-Chul Choi; Kazuhiko Sato; Yoong-Kee Choe
Carbon Dioxide Cycloaddition to Epoxides Promoted by Nicotinamidium Halide Catalysts: A DFT Investigation
2023-07-01 Butera, Valeria
Charge transport in poly-imidazole membranes: A fresh appraisal of the Grotthuss mechanism
2012-01-01 Mangiatordi G.F.; Butera V.; Russo N.; Laage D.; Adamo C.
Computational Insight on CO2 Fixation to Produce Styrene Carbonate Assisted by a Single-Center Aluminum(III) Catalyst and Quaternary Ammonium Salts
2016-01-01 Butera V.; Russo N.; Cosentino U.; Greco C.; Moro G.; Pitea D.; Sicilia E.
Cyclic Carbonate Formation from Epoxides and CO2Catalyzed by Sustainable Alkali Halide-Glycol Complexes: A DFT Study to Elucidate Reaction Mechanism and Catalytic Activity
2020-01-01 Butera V.; Detz H.
d-Glucose Adsorption on the TiO2 Anatase (100) Surface: A Direct Comparison Between Cluster-Based and Periodic Approaches
2021-01-01 Butera V.; Massaro A.; Munoz-Garcia A.B.; Pavone M.; Detz H.
Density functional theory methods applied to homogeneous and heterogeneous catalysis: a short review and a practical user guide
2024-02-07 valeria butera
DFT Study of GaN Clusters Decorated with Rh and Pt Nanoparticles for the Photochemical Reduction of CO2
2022-01-01 Butera V.; Detz H.
Dinuclear Ruthenium(II)-Pyrrolide Complexes Linked by Different Organic Units as PDT Photosensitizers: Computational Study of the Linker Influence on the Photophysical Properties*
2022-01-01 Butera V.; Mazzone G.; Detz H.
Do rhodium bis(σ-amine-borane) complexes play a role as intermediates in dehydrocoupling reactions of amine-boranes?
2011-01-01 Butera V.; Russo N.; Sicilia E.
Electron-Poor Acridones and Acridiniums as Super Photooxidants in Molecular Photoelectrochemistry by Unusual Mechanisms
2023-08-16 Žurauskas, Jonas; Boháčová, Soňa; Wu, Shangze; Butera, Valeria; Schmid, Simon; Domański, Michał; Slanina, Tomáš; Barham, Joshua Philip
Electronic Properties of Pure and Fe-Doped β-Ni(OH)2: New Insights Using Density Functional Theory with a Cluster Approach
2016-01-01 Butera V.; Toroker M.C.
Elucidation of single atom catalysts for energy and sustainable chemical production: Synthesis, characterization and frontier science
2023-01-01 Loy A.C.M.; Teng S.Y.; How B.S.; Zhang X.; Cheah K.W.; Butera V.; Leong W.D.; Chin B.L.F.; Yiin C.L.; Taylor M.J.; Kyriakou G.
Experimental and Theoretical Investigation on the Catalytic Generation of Environmentally Persistent Free Radicals from Benzene
2017-01-01 D'Arienzo M.; Gamba L.; Morazzoni F.; Cosentino U.; Greco C.; Lasagni M.; Pitea D.; Moro G.; Cepek C.; Butera V.; Sicilia E.; Russo N.; Munoz-Garcia A.B.; Pavone M.
Gallium Nitride-based Materials as Promising Catalysts for CO2 Reduction: A DFT Study on the Effect of CO2 Coverage and the Incorporation of Mg Doping or Substitutional In
2023-01-01 Ritacco I.; Farnesi Camellone M.; Caporaso L.; Detz H.; Butera V.
GrafeoPlad Palladium: Insight on Structure and Activity of a New Catalyst Series of Broad Scope
2024-02-01 Formenti, Matteo; Casaletto, Maria Pia; Barone, Giampaolo; Pagliaro, Mario; Della Pina, Cristina; Butera, Valeria; Ciriminna, Rosaria
Hole-mediated photoredox catalysis: Tris(: P-substituted)biarylaminium radical cations as tunable, precomplexing and potent photooxidants
2021-01-01 Wu S.; Zurauskas J.; Domanski M.; Hitzfeld P.S.; Butera V.; Scott D.J.; Rehbein J.; Kumar A.; Thyrhaug E.; Hauer J.; Barham J.P.
How the Metal Ion Affects the 1H NMR Chemical Shift Values of Schiff Base Metal Complexes: Rationalization by DFT Calculations
2023-11-09 Butera, Valeria; D'Anna, Luisa; Rubino, Simona; Bonsignore, Riccardo; Spinello, Angelo; Terenzi, Alessio; Barone, Giampaolo
Hydrogen release from dialkylamine-boranes promoted by Mg and Ca complexes: A DFT analysis of the reaction mechanism
2014-01-01 Butera V.; Russo N.; Sicilia E.
Hydrogenation of CO2to methanol by the diphosphine-ruthenium(ii) cationic complex: a DFT investigation to shed light on the decisive role of carboxylic acids as promoters
2021-05-21 Butera V.; Detz H.