PACCHIONI, GIANFRANCO
PACCHIONI, GIANFRANCO
DIPARTIMENTO DI SCIENZA DEI MATERIALI
Si-29 solid State NMR of hydroxyl groups in silica from first principle calculations
1999 Casanovas, J; Pacchioni, G; Illas, F
Cu atoms and clusters on regular and defect sites of the SiO2 surface. Electronic structure and properties from first principle calculations
1999 Pacchioni, G; Lopez, N; Illas, F
Mechanisms responsible for chemical shifts of core-level binding energies and their relationship to chemical bonding
1999 Bagus, P; Illas, F; Pacchioni, G; Parmigiani, F
First principle calculations of the optical properties of a neutral oxygen vacancy in Ge-doped silica
1999 Pacchioni, G; Basile, A
Infra-red, electron paramagnetic resonance and x-ray photoemission spectral properties of point defects in silica from first-principle calculations
1999 Pacchioni, G; Vitiello, M
N2- radical anion reversibly formed at the surface of "electron-rich" alkaline-earth oxides
2000 Giamello, E; Paganini, M; Chiesa, M; Murphy, D; Pacchioni, G; Soave, R; Rockenbauer, A
New bonding mode of CO on stepped MgO surfaces from density functional cluster model calculations
2000 Soave, R; Pacchioni, G
Interaction of H-2 with strained rings at the silica surface from ab initio calculations
2000 Lopez, N; Vitiello, M; Illas, F; Pacchioni, G
Simplified embedding schemes for the quantum-chemical description of neutral and charged point defects in SiO2 and related dielectrics
2000 Erbetta, D; Ricci, D; Pacchioni, G
A theoretical study of catalytic coupling of propyne on Cu{111}
2000 Clotet, A; Ricart, J; Illas, F; Pacchioni, G; Lambert, R
Acetylene cyclotrimerization on supported size-selected Pd(n) clusters (1 ≤ n ≤ 30): One atom is enough!
2000 Abbet, S; Sanchez, A; Heiz, U; Schneider, W; Ferrari, A; Pacchioni, G; Rosch, N
Size-effects in the acetylene cyclotrimerization on supported size-selected Pdn clusters (1≤n≤30)
2000 Abbet, S; Sanchez, A; Heiz, U; Schneider, W; Ferrari, A; Pacchioni, G; Rosch, N
Nano-assembled Pd catalysts on MgO thin films
2001 Abbet, S; Heiz, U; Ferrari, A; Giordano, L; DI VALENTIN, C; Pacchioni, G
Characteristics of Pd adsorption on the MgO(100) surface: Role of oxygen vacancies
2001 Giordano, L; Goniakowski, J; Pacchioni, G
Optical properties of point defects in SiO2 from time-dependent density functional theory
2002 Raghavachari, K; Ricci, D; Pacchioni, G
Bonding of NO to NiO(100) and NixMg1-xO(100) surfaces: A challenge for theory
2002 DI VALENTIN, C; Pacchioni, G; Bredow, T; Dominguez Ariza, D; Illas, F
Adsorption of CS2 on MgO microcrystals: Formation of a S-doped MgO surface
2002 Scarano, D; Bertarione, S; Zecchina, A; Soave, R; Pacchioni, G
Conversion of NO to N2O on MgO thin films
2002 Di Valentin, C; Pacchioni, G; Abbet, S; Heiz, U
Chemisorption and reactivity of methanol on MgO thin films
2002 Di Valentin, C; Del Vitto, A; Pacchioni, G; Abbet, S; Worz, A; Judai, K; Heiz, U
Pd-1/MgO(100): a model system in nanocatalysis
2002 Abbet, S; Ferrari, A; Giordano, L; Pacchioni, G; Hakkinen, H; Landman, U; Heiz, U