PACCHIONI, GIANFRANCO

PACCHIONI, GIANFRANCO  

DIPARTIMENTO DI SCIENZA DEI MATERIALI  

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Titolo Tipologia Data di pubblicazione Autori File
Cu atoms and clusters on regular and defect sites of the SiO2 surface. Electronic structure and properties from first principle calculations 01 - Articolo su rivista 1999 Pacchioni, G +
Si-29 solid State NMR of hydroxyl groups in silica from first principle calculations 01 - Articolo su rivista 1999 PACCHIONI, GIANFRANCO +
First principle calculations of the optical properties of a neutral oxygen vacancy in Ge-doped silica 01 - Articolo su rivista 1999 Pacchioni, G +
Infra-red, electron paramagnetic resonance and x-ray photoemission spectral properties of point defects in silica from first-principle calculations 01 - Articolo su rivista 1999 PACCHIONI, GIANFRANCO +
Mechanisms responsible for chemical shifts of core-level binding energies and their relationship to chemical bonding 01 - Articolo su rivista 1999 PACCHIONI, GIANFRANCO +
Simplified embedding schemes for the quantum-chemical description of neutral and charged point defects in SiO2 and related dielectrics 01 - Articolo su rivista 2000 Pacchioni, G +
N-2(-) radical anion reversibly formed at the surface of "electron-rich" alkaline-earth oxides 01 - Articolo su rivista 2000 PACCHIONI, GIANFRANCO +
New bonding mode of CO on stepped MgO surfaces from density functional cluster model calculations 01 - Articolo su rivista 2000 PACCHIONI, GIANFRANCO +
Acetylene cyclotrimerization on supported size-selected Pd-n clusters (1 <= n <= 30): one atom is enough! 01 - Articolo su rivista 2000 PACCHIONI, GIANFRANCO +
Size-effects in the acetylene cyclotrimerization on supported size-selected Pd-n clusters (1 <= n <= 30) 01 - Articolo su rivista 2000 PACCHIONI, GIANFRANCO +
Interaction of H-2 with strained rings at the silica surface from ab initio calculations 01 - Articolo su rivista 2000 PACCHIONI, GIANFRANCO +
A theoretical study of catalytic coupling of propyne on Cu{111} 01 - Articolo su rivista 2000 PACCHIONI, GIANFRANCO +
Characteristics of Pd adsorption on the MgO(100) surface: Role of oxygen vacancies 01 - Articolo su rivista 2001 GIORDANO, LIVIAPACCHIONI, GIANFRANCO +
Nano-assembled Pd catalysts on MgO thin films 01 - Articolo su rivista 2001 GIORDANO, LIVIADI VALENTIN, CRISTIANAPACCHIONI, GIANFRANCO +
Bonding of NO to NiO(100) and NixMg1-xO(100) surfaces: A challenge for theory 01 - Articolo su rivista 2002 DI VALENTIN, CRISTIANAPACCHIONI, GIANFRANCO +
Conversion of NO to N2O on MgO thin films 01 - Articolo su rivista 2002 Di Valentin, CPacchioni, G +
Chemisorption and reactivity of methanol on MgO thin films 01 - Articolo su rivista 2002 Di Valentin, CDel Vitto, APacchioni, G +
Adsorption of CS on MgO microcrystals: formation of a S-doped MgO surface 01 - Articolo su rivista 2002 PACCHIONI, GIANFRANCO +
Optical properties of point defects in SiO2 from time-dependent density functional theory 01 - Articolo su rivista 2002 RICCI, DAVIDEPACCHIONI, GIANFRANCO +
Pd-1/MgO(100): a model system in nanocatalysis 01 - Articolo su rivista 2002 GIORDANO, LIVIAPACCHIONI, GIANFRANCO +