TOSONI, SERGIO PAOLO

TOSONI, SERGIO PAOLO

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Pubblicazioni

Risultati 1 - 20 di 65 (tempo di esecuzione: 0.001 secondi).

TitoloData di pubblicazioneAutori
1Vibrational spectrum of brucite, Mg(OH)(2): a periodic ab initio quantum mechanical calculation including OH anharmonicity2004TOSONI, SERGIO PAOLO  ;
2Infrared spectra of hydrogen-bonded ionic crystals: Ab initio study of Mg(OH)(2) and beta-Be(OH)(2)2004TOSONI, SERGIO PAOLO  ;
3Quantum mechanical calculation of the OH vibrational frequency in crystalline solids2005TOSONI, SERGIO PAOLO  ;
4Peptide bond formation activated by the interplay of Lewis and Bronsted catalysts2005TOSONI, SERGIO PAOLO  ;
5Does silica surface catalyse peptide bond formation? New insights from first-principles calculations2006TOSONI, SERGIO PAOLO  ;
6Hydrogen bond in layered materials: Structural and vibrational properties of kaolinite by a periodic B3LYP approach2006TOSONI, SERGIO PAOLO  ;
7Interaction of glycine with isolated hydroxyl groups at the silica surface: First principles B3LYP periodic simulation2006TOSONI, SERGIO PAOLO  ;
8A comparison between plane wave and Gaussian-type orbital basis sets for hydrogen bonded systems: Formic acid as a test case2007TOSONI, SERGIO PAOLO  ;
9Hydroxylated crystalline edingtonite silica faces as models for the amorphous silica surface2008TOSONI, SERGIO PAOLO  ;
10Acid-Base Interactions and Secondary Structures of Poly-L-Lysine Probed by (15)N and (13)C Solid State NMR and Ab initio Model Calculations2008TOSONI, SERGIO PAOLO  ;
11Role of dispersive interactions in layered materials: a periodic B3LYP and B3LYP-D* study of Mg(OH)(2), Ca(OH)(2) and kaolinite2009TOSONI, SERGIO PAOLO  ;
12Water Adsorption on the Stoichiometric (001) and (010) Surfaces of Hydroxyapatite: A Periodic B3LYP Study2009TOSONI, SERGIO PAOLO  ;
13Accurate quantum chemical energies for the interaction of hydrocarbons with oxide surfaces: CH4/MgO(001)2010TOSONI, SERGIO PAOLO  ;
14Hydrophobic Behavior of Dehydroxylated Silica Surfaces: A B3LYP Periodic Study2010TOSONI, SERGIO PAOLO  ;
15Interaction between gold atoms and thio-aryl ligands on the Au(111) surface2011TOSONI, SERGIO PAOLO  ;
16Zeolitic-type Brønsted-Lowry sites distribution imaged on clinochlore2011TOSONI, SERGIO PAOLO  ;
17Electronic structure of f-doped bulk rutile, anatase, and brookite polymorphs of TiO 22012TOSONI, SERGIO PAOLO  ;
18Origin of optical excitations in fluorine-doped titania from response function theory: Relevance to photocatalysis2012TOSONI, SERGIO PAOLO  ;
19Stabilizing Gold Adatoms by Thiophenyl Derivatives: A Possible Route toward Metal Redispersion2012TOSONI, SERGIO PAOLO  ;
20Prediction of optical properties of F centers in oxides from quasiparticle excitations2012TOSONI, SERGIO PAOLO  ;

Dettaglio

TOSONI, SERGIO PAOLO 

DIPARTIMENTO DI SCIENZA DEI MATERIALI 

 
 
 
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