Sfoglia per Autore
First-principles study of crystalline and amorphous Ge2Sb2Te5 and the effects of stoichiometric defects
2009 Caravati, S; Bernasconi, M; Kuhne, T; Krack, M; Parrinello, M
Vibrational properties of crystalline Sb2Te3 from first principles
2009 Sosso, G; Caravati, S; Bernasconi, M
First principles study of Ge/Si exchange mechanisms at the Si(001) surface
2008 Zipoli, F; Cereda, S; Ceriotti, M; Bernasconi, M; Miglio, L; Montalenti, F
First principles study of three-dimensional polymers of C-60: Structure, electronic properties, and Raman spectra
2008 Zipoli, F; Bernasconi, M
Thermal-hydrogen promoted selective desorption and enhanced mobility of adsorbed radicals in silicon film growth
2008 Cereda, S; Zipoli, F; Bernasconi, M; Miglio, L; Montalenti, F
TeO2 glass properties from first principles
2008 Pietrucci, F; Caravati, S; Bernasconi, M
Simulation of the grafting of organosilanes at the surface of dry amorphous silica
2008 Zipoli, F; Donadio, F; Bernasconi, M
Large surface charge density oscillations induced by subsurface phonon resonances
2008 Chis, V; Hellsing, B; Benedek, G; Bernasconi, M; Chulkov, E; Toennies, J
Vacancy-vacancy interaction and oxygen diffusion in stabilized cubic ZrO2 from first principles
2008 Pietrucci, F; Bernasconi, M; Laio, A; Parrinello, M
Coexistence of tetrahedral- and octahedral-like sites in amorphous phase change materials
2007 Caravati, S; Bernasconi, M; Kuhne, T; Krack, M; Parrinello, M
Evidence of longitudinal resonance and optical subsurface phonons in Al(001)
2007 Chis, V; Hellsing, B; Benedek, G; Bernasconi, M; Toennies, J
Quantitative estimate of H abstraction by thermal SiH3 on hydrogenated Si(001)(2x1)
2007 Cereda, S; Ceriotti, M; Montalenti, F; Bernasconi, M; Miglio, L
Defective pyrite (100) surface: An ab initio study
2007 Stirling, A; Bernasconi, M; Parrinello, M
First principles study of the vibrational properties of crystalline Li2TeO3
2007 D'Alessio, L; Pietrucci, F; Bernasconi, M
Diffusion and desorption of SiH3 on hydrogenated H:Si(100)-(2×1) from first principles
2007 Ceriotti, M; Bernasconi, M
Ab initio molecular dynamics simulation of NO reactivity on the CaO(001) surface
2006 DI VALENTIN, C; Pacchioni, G; Bernasconi, M
Ab initio simulation of the grafting of phenylacetylene on hydrogenated surfaces of crystalline silicon catalyzed by a lewis acid
2006 Zipoli, F; Bernasconi, M
Electron-phonon coupling in halogen-doped carbon clathrates from first principles
2006 Zipoli, F; Bernasconi, M; Benedek, G
Ab initio study of the vibrational properties of crystalline TeO2: The α, β, and γ phases
2006 Ceriotti, M; Pietrucci, F; Bernasconi, M
A QUICKSTEP-based quantum mechanics/molecular mechanics approach for silica
2006 Zipoli, F; Laino, T; Laio, A; Bernasconi, M; Parrinello, M
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