TABACCHI, GLORIA

TABACCHI, GLORIA  

DIPARTIMENTO DI SCIENZA E ALTA TECNOLOGIA  

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Risultati 1 - 20 di 111 (tempo di esecuzione: 0.125 secondi).
Titolo Data di pubblicazione Autore(i) File
A density-functional approach to polarizable models: A Kim-Gordon response density interaction potential for molecular simulations 1-gen-2005 Tabacchi, Gloria; Hutter, J; Mundy, Cj
A LCAO-LDF study of Bronsted acids chemisorption on ZnO(0001) 1-gen-1996 M., Casarin; C., Maccato; Tabacchi, Gloria; A., Vittadini
Ab initio molecular dynamics studies of flavocytochrome b2 reduction 1-gen-2005 Tabacchi, Gloria; Vanoni, M. A.; Lederer, F.; Gamba, Aldo; Fois, ETTORE SILVESTRO
Ab initio molecular dynamics study of the Bronsted acid site in a gallium zeolite 1-gen-1999 Fois, ETTORE SILVESTRO; Gamba, Aldo; Tabacchi, Gloria
Ab initio study of defect sites at the inner surfaces of mesoporous silicas 1-gen-2003 Fois, ETTORE SILVESTRO; Gamba, Aldo; Tabacchi, Gloria; Coluccia, S; Martra, G.
An experimental and theoretical study of the interaction of CH3OH and CH3SH with ZnO 1-gen-1996 M., Casarin; G., Favero; A., Glisenti; G., Granozzi; C., Maccato; Tabacchi, Gloria; A., Vittadini
An iron(II) diamine diketonate molecular complex: Synthesis, characterization and application in the CVD of Fe2O3 thin films. 1-gen-2012 Barreca, D.; Carraro, G.; Gasparotto, A.; Maccato, C.; Seraglia, R.; Tabacchi, Gloria
Bathochromic effects in electronic excitation spectra of hydrated Ti zeolites: A theoretical characterization 1-gen-2008 Fois, ETTORE SILVESTRO; Gamba, Aldo; Tabacchi, Gloria
Behaviour at high pressure of Rb7NaGa8Si12O40·3H2O (a zeolite with EDI topology): a combined experimental–computational study 1-gen-2016 Gatta, G. D.; Tabacchi, Gloria; Fois, ETTORE SILVESTRO; Lee, Y.
The case of formic acid on (101) anatase TiO2: where is the acid proton? 1-gen-2019 Tabacchi, Gloria; Fabbiani, Marco; Mino, Lorenzo; Martra, Gianmario; Fois, Ettore
The case of HCOOH on (101) anatase TiO2 : where is the acid proton? 1-gen-2019 Tabacchi, Gloria; Fabbiani, Marco; Mino, Lorenzo; Martra, Gianmario; Fois, Ettore
Chemically Induced Mismatch of Rings and Stations in [3]Rotaxanes 1-gen-2021 Curcio, M.; Nicoli, F.; Paltrinieri, E.; Fois, E.; Tabacchi, G.; Cavallo, L.; Silvi, S.; Baroncini, M.; Credi, A.
Chemistry at the Entrances of Zeolite L Nanochannels 1-gen-2016 Tabacchi, Gloria; Fois, ETTORE SILVESTRO; Calzaferri, Gion
Classical polarizable force fields parametrized from ab initio calculations 1-gen-2002 Tabacchi, Gloria; Mundy, Cj; Hutter, J; Parrinello, M.
Close-Packed Dye Molecules in Zeolite Channels Self-Assemble into Supramolecular Nanoladders 1-gen-2014 Lara, Gigli; Rossella, Arletti; Tabacchi, Gloria; Fois, ETTORE SILVESTRO; Vitillo, Jenny G.; Gianmario, Martra; Giovanni, Agostini; Simona, Quartieri; Giovanna, Vezzalini
Computational Approaches to the Study of Oxide Nanomaterials and Nanoporous Oxides 1-gen-2022 Fois, Ettore; Tabacchi, Gloria
Computer modeling of apparently straight bond angles: The intriguing case of all-silica ferrierite 1-gen-2019 Trudu, Federica; Tabacchi, Gloria; Fois, ETTORE SILVESTRO
Confining a protein-containing water nanodroplet inside silica nanochannels 1-gen-2019 Giussani, Lara; Tabacchi, Gloria; Coluccia, Salvatore; Fois, Ettore
Cover Picture: Irreversible Conversion of a Water-Ethanol Solution into an Organized Two-Dimensional Network of Alternating Supramolecular Units in a Hydrophobic Zeolite under Pressure (Angew. Chem. Int. Ed. 8/2017) 1-gen-2017 Arletti, Rossella; Fois, ETTORE SILVESTRO; Gigli, Lara; Vezzalini, Giovanna; Quartieri, Simona; Tabacchi, Gloria
CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations 1-gen-2020 Kühne, Thomas D.; Iannuzzi, Marcella; Del Ben, Mauro; Rybkin, Vladimir V.; Seewald, Patrick; Stein, Frederick; Laino, Teodoro; Khaliullin, Rustam Z.; Schütt, Ole; Schiffmann, Florian; Golze, Dorothea; Wilhelm, Jan; Chulkov, Sergey; Bani-Hashemian, Mohammad Hossein; Weber, Valéry; Borštnik, Urban; Taillefumier, Mathieu; Jakobovits, Alice Shoshana; Lazzaro, Alfio; Pabst, Hans; Müller, Tiziano; Schade, Robert; Guidon, Manuel; Andermatt, Samuel; Holmberg, Nico; Schenter, Gregory K.; Hehn, Anna; Bussy, Augustin; Belleflamme, Fabian; Tabacchi, Gloria; Glöß, Andreas; Lass, Michael; Bethune, Iain; Mundy, Christopher J.; Plessl, Christian; Watkins, Matt; Vandevondele, Joost; Krack, Matthias; Hutter, Jürg