Sfoglia per Autore
Subvolume A2B "Impurities and Defects in Group IV Elements, IV-IV and III-V Compounds, part B: Group IV-IV and III-V Compounds"
2003-01-01 Giannozzi, Paolo; L., Pavesi
The low frequency vibrational modes of green fluorescent proteins
2003-01-01 Tozzini, V; Bizzarri, Ar; Pellegrini, V; Nifosi, R; Giannozzi, Paolo; Iuliano, A; Cannistraro, S; Beltram, F.
Nitrogen passivation by atomic hydrogen in GaAsyN1-y and InxGa1-xAsyN1-y alloys
2003-01-01 Bonapasta, Aa; Filippone, F; Giannozzi, Paolo
Oxygen adsorption on graphite and nanotubes
2003-01-01 Giannozzi, Paolo; Car, R; Scoles, G.
First-principle molecular dynamics with ultrasoft pseudopotentials: Parallel implementation and application to extended bioinorganic systems
2004-01-01 Giannozzi, Paolo; F., DE ANGELIS; R., Car
Structure, electronic properties and formation mechanisms of Hydrogen-Nitrogen complexes in GaP(y)N(1-y) alloys
2004-01-01 AMORE BONAPASTA, A; Filippone, F; Giannozzi, Paolo
Calculation of Near-Edge X-Ray Absorption Fine Structure at Finite Temperatures: Spectral Signatures of Hydrogen Bond Breaking in Liquid Water
2004-01-01 Hetényi, B; DE ANGELIS, F; Giannozzi, Paolo; Car, R.
Comment on: "Noncovalent functionalization of carbon nanotubes by aromatic organic molecules" [ Appl. Phys. Lett. 82, 3746 (2003) ]
2004-01-01 Giannozzi, Paolo
Coordination and Haptotropic Rearrangement of Cr(CO)3 on (n,0) Nanotube Sidewalls: A dynamical Density Functional Study
2004-01-01 Nunzi, F; Mercuri, F; DE ANGELIS, F; Sgamellotti, A; Re, N; Giannozzi, Paolo
First-Principles Molecular Dynamics
2005-01-01 R., Car; F., DE ANGELIS; Giannozzi, Paolo; N., Marzari
Density-Functional Perturbation Theory
2005-01-01 Giannozzi, Paolo; Baroni, S.
First-principles codes for Computational Crystallography in the Quantum-ESPRESSO package
2005-01-01 Scandolo, S; Giannozzi, Paolo; Cavazzoni, C; DE GIRONCOLI, S; Pasquarello, A; Baroni, S.
Electron correlation effects on the hydrogen passivation of Mn(x)Ga(1-x)As dilute magnetic semiconductors
2005-01-01 A., AMORE BONAPASTA; F., Filippone; Giannozzi, Paolo
Vibrational properties of DsRed model chromophores
2005-01-01 V., Tozzini; Giannozzi, Paolo
Theory of hydrogen complexes in Mn(x)Ga(1-x)As dilute magnetic semiconductors
2006-01-01 Giannozzi, Paolo; Filippone, F; AMORE BONAPASTA, A.
Si(x)C(1-x)O(2) alloys: A possible route to stabilize carbon-based silica-like solids?
2007-01-01 Aravindh, A; Giannozzi, Paolo
Theoretical design of coupled organic-inorganic systems
2008-01-01 G., Mattioli; F., Filippone; Giannozzi, Paolo; R., Caminiti; A., AMORE BONAPASTA
Calculation of Phonon Dispersions on the GRID using Quantum ESPRESSO
2009-01-01 R., DI MEO; A., DAL CORSO; Giannozzi, Paolo; S., Cozzini
Adsorption of pairs of NOx molecules on single-wall carbon nanotubes and formation of NO+NO3 from NO2,
2009-01-01 J., Dai; Giannozzi, Paolo; J., Yuan
Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
2009-01-01 Giannozzi, Paolo; Baroni, S.; Bonini, N.; Calandra, M.; Car, R.; Cavazzoni, C.; Ceresoli, D.; Chiarotti, Gl; Cococcioni, M.; Dabo, I.; Dal Corso, A.; de Gironcoli, S.; Fabris, S.; Fratesi, G.; Gebauer, R.; Gerstmann, U.; Gougoussis, C.; Kokalj, A.; Lazzeri, M.; Martin Samos, L.; Marzari, N.; Mauri, F.; Mazzarello, R.; Paolini, S.; Pasquarello, A.; Paulatto, L.; Sbraccia, C.; Scandolo, S.; Sclauzero, G.; Seitsonen, Ap; Smogunov, A.; Umari, P.; Wentzcovitch, Rm
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