Sfoglia per Titolo
Ab initio studies of targets for pharmaceutical intervention
2001-10-25 Sulpizi, Marialore
Ab initio study of Be (0001) surface thermal expansion
1998-01-01 Lazzeri, M.; de Gironcoli, S.
Ab initio study of Be (1010) surface dynamical properties
2000-01-01 Lazzeri, M.; de Gironcoli, S.
Ab initio study of CO adsorption on Ni(110): Effects on surface magnetism at low coverage
2001-01-01 Favot, F; Dal Corso, Andrea; Baldereschi, A.
Ab initio study of electron energy loss spectra of bulk bismuth up to 100 eV
2017-01-01 Timrov, Iurii; Markov, Maxime; Gorni, Tommaso; Raynaud, Michèle; Motornyi, Oleksandr; Gebauer, Ralph; Baroni, Stefano; Vast, Nathalie
Ab initio study of phonons in wurtzite AlxGa1-xN alloys
2000-01-01 Bungaro, C.; de Gironcoli, S.
Ab initio study of the dielectric properties of silicon and gallium arsenide using polarized Wannier functions
1998-01-01 Fernandez, P; Dal Corso, Andrea; Baldereschi, A.
Ab initio study of transport parameters in polymer crystals
2004-01-01 Ferretti, A.; Ruini, A.; Bussi, G.; Molinari, E.; Caldas, M. J.
Ab initio ternary sigma phase diagram: the Cr-Mo-Re system
2010-01-01 Crivello, J. -C.; Palumbo, M.; Abe, T.; Joubert, J. -M.
Ab initio thermal expansion and thermoelastic properties of ringwoodite ( γ-Mg2SiO4) at mantle transition zone conditions
2022-01-01 Belmonte, D.; La Fortezza, M.; Menescardi, F.
Ab initio thermodynamic properties of iridium: A high-pressure and high-temperature study
2024-01-01 Thakur, Balaram; Gong, Xuejun; Dal Corso, Andrea
Ab- initio molecular dynamics with Parrinello-Rahman deformable cell.
1992-11-01
Ab-initio calculation of phonon dispersions in II-VI semiconductors
1993-01-01 Dal Corso, Andrea; Baroni, Stefano; Resta, R; de Gironcoli, Stefano Maria
Ab-initio calculations of luminescence and optical gain properties in silicon nanostructures
2009-01-01 Degoli, E.; Guerra, R.; Iori, F.; Magri, R.; Marri, I.; Pulci, O.; Bisi, O.; Ossicini, S.
Ab-initio Characterization of a Novel Photocathode for Water Splitting: Bulk and Surface Properties of CuFeO2
2020-09-30 Ferri, Matteo
Ab-initio dynamical properties of Be(0001) surface.
1997-10-01 Lazzeri, Michele
Ab-initio dynamical properties of the Be(0001) surface
1998-01-01 Lazzeri, M.; de Gironcoli, S.
Ab-initio phonon dispersions of fcc-Pb: effects of spin-orbit coupling
2008-01-01 Dal Corso, Andrea
Ab-initio phonon dispersions of transition and noble metals: effects of the exchange and correlation functional
2013-01-01 Dal Corso, Andrea
Ab-initio study of excitonic effects in conventional and organic semiconductors
2005-01-01 Hummer, K.; Ambrosch-Draxl, C.; Bussi, G.; Ruini, A.; Caldas, M. J.; Molinari, E.; Laskowski, R.; Christensen, N. E.
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