TOSONI, SERGIO PAOLO

TOSONI, SERGIO PAOLO  

DIPARTIMENTO DI SCIENZA DEI MATERIALI  

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Risultati 1 - 20 di 93 (tempo di esecuzione: 0.035 secondi).
Titolo Tipologia Data di pubblicazione Autori File
Vibrational spectrum of brucite, Mg(OH)(2): a periodic ab initio quantum mechanical calculation including OH anharmonicity 01 - Articolo su rivista 2004 Tosoni, S +
Infrared spectra of hydrogen-bonded ionic crystals: Ab initio study of Mg(OH)(2) and beta-Be(OH)(2) 01 - Articolo su rivista 2004 Tosoni, S +
Peptide bond formation activated by the interplay of Lewis and Bronsted catalysts 01 - Articolo su rivista 2005 Tosoni, S +
Quantum mechanical calculation of the OH vibrational frequency in crystalline solids 01 - Articolo su rivista 2005 Tosoni, S +
Does silica surface catalyse peptide bond formation? New insights from first-principles calculations 01 - Articolo su rivista 2006 Tosoni, S +
Hydrogen bond in layered materials: Structural and vibrational properties of kaolinite by a periodic B3LYP approach 01 - Articolo su rivista 2006 Tosoni, S +
Interaction of glycine with isolated hydroxyl groups at the silica surface: First principles B3LYP periodic simulation 01 - Articolo su rivista 2006 Tosoni, S +
A comparison between plane wave and Gaussian-type orbital basis sets for hydrogen bonded systems: Formic acid as a test case 01 - Articolo su rivista 2007 Tosoni, S +
Acid-Base Interactions and Secondary Structures of Poly-L-Lysine Probed by (15)N and (13)C Solid State NMR and Ab initio Model Calculations 01 - Articolo su rivista 2008 Tosoni, S +
Hydroxylated crystalline edingtonite silica faces as models for the amorphous silica surface 01 - Articolo su rivista 2008 Tosoni, S. +
Water adsorption on the stoichiometric (001) and (010) surfaces of hydroxyapatite: A periodic B3LYP study 01 - Articolo su rivista 2009 Tosoni, S +
Role of dispersive interactions in layered materials: a periodic B3LYP and B3LYP-D* study of Mg(OH)(2), Ca(OH)(2) and kaolinite 01 - Articolo su rivista 2009 Tosoni, S +
Hydrophobic Behavior of Dehydroxylated Silica Surfaces: A B3LYP Periodic Study 01 - Articolo su rivista 2010 Tosoni, S +
Accurate quantum chemical energies for the interaction of hydrocarbons with oxide surfaces: CH4/MgO(001) 01 - Articolo su rivista 2010 TOSONI, SERGIO PAOLO +
Zeolitic-type Brønsted-Lowry sites distribution imaged on clinochlore 01 - Articolo su rivista 2011 TOSONI, SERGIO PAOLO +
Interaction between gold atoms and thio-aryl ligands on the Au(111) surface 01 - Articolo su rivista 2011 TOSONI, SERGIO PAOLO +
Prediction of optical properties of F centers in oxides from quasiparticle excitations 01 - Articolo su rivista 2012 Tosoni, S +
Origin of optical excitations in fluorine-doped titania from response function theory: Relevance to photocatalysis 01 - Articolo su rivista 2012 TOSONI, SERGIO PAOLO +
Electronic structure of f-doped bulk rutile, anatase, and brookite polymorphs of TiO 2 01 - Articolo su rivista 2012 TOSONI, SERGIO PAOLO +
Stabilizing Gold Adatoms by Thiophenyl Derivatives: A Possible Route toward Metal Redispersion 01 - Articolo su rivista 2012 TOSONI, SERGIO PAOLO +