Sfoglia per Autore
A QUICKSTEP-based quantum mechanics/molecular mechanics approach for silica
2006 Zipoli, F; Laino, T; Laio, A; Bernasconi, M; Parrinello, M
Ab initio simulations of Lewis-acid-catalyzed hydrosilylation of alkynes
2005 Zipoli, F; Bernasconi, M; Laio, A
Electron-phonon interaction in hole-doped MgB2C2
2005 Spano, E; Bernasconi, M; Kopnin, E
Ab initio simulation of photoinduced transformation of small rings in amorphous silica
2005 Donadio, D; Bernasconi, M
Simulation of structural phase transitions by metadynamics
2005 Martonak, R; Laio, A; Bernasconi, M; Ceriani, C; Raiteri, P; Zipoli, F; Parrinello, M
Ab initio study of the vibrational properties of Mg (AlH4) 2
2005 Spanò, E; Bernasconi, M
Photoelasticity of sodium silicate glass from first principles
2004 Donadio, D; Bernasconi, M; Tassone, F
Ab initio study of yttria-stabilized cubic zirconia surfaces
2004 Ballabio, G; Bernasconi, M; Pietrucci, F; Serra, S
Constant pressure reactive molecular dynamics simulations of phase transitions under pressure: The graphite to diamond conversion revisited
2004 Zipoli, F; Bernasconi, M; Martonak, R
Vibrational properties of C20-based solids
2004 Spagnolatti, I; Mussi, A; Bernasconi, M; Benedek, G
Fullerenes: Topology and Structure
2004 Benedek, G; Bernasconi, M
Ab initio phonon dispersion relations of α-Ga
2003 Spagnolatti, I; Bernasconi, M
Photoelasticity of crystalline and amorphous silica from first principles
2003 Donadio, D; Bernasconi, M; Tassone, F
Ab initio simulation of H2S adsorption on the (100) surface of pyrite
2003 Stirling, A; Bernasconi, M; Parrinello, M
Evidence for a solid phase of dodecahedral C 20
2003 Iqbal, Z; Zhang, Y; Grebel, H; Vijayalakshmi, S; Lahamer, A; Benedek, G; Bernasconi, M; Cariboni, J; Spagnolatti, I; Sharma, R; Owens, F; Kozlov, M; Rao, K; Muhammed, M
The carbon clathrate hex-C16
2003 Benedek, G; Bernasconi, M; Gambirasio, A
Electron-phonon interaction in carbon clathrate hex-C-40
2003 Spagnolatti, I; Bernasconi, M; Benedek, G
Ab initio simulation of water interaction with the (100) surface of pyrite
2003 Stirling, A; Bernasconi, M; Parrinello, M
Electron-phonon interaction in carbon schwarzites
2003 Spagnolatti, I; Bernasconi, M; Benedek, G
Ab initio simulations of hydroxylation and dehydroxylation reactions at surfaces: amorphous silica and brucite
2002 Masini, P; Bernasconi, M
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