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| Green’s-function approach to linear response in solids S Baroni, P Giannozzi, A Testa Physical review letters 58 (18), 1861, 1987 | 2470 | 1987 |
| Ab initio calculation of phonon dispersions in semiconductors P Giannozzi, S De Gironcoli, P Pavone, S Baroni Physical Review B 43 (9), 7231, 1991 | 2209 | 1991 |
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| Ab initio lattice dynamics of diamond P Pavone, K Karch, O Schütt, D Strauch, W Windl, P Giannozzi, S Baroni Physical Review B 48 (5), 3156, 1993 | 380 | 1993 |
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| Oxygen adsorption on graphite and nanotubes P Giannozzi, R Car, G Scoles The Journal of chemical physics 118 (3), 1003-1006, 2003 | 341 | 2003 |
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| Reaction pathways for oxygen evolution promoted by cobalt catalyst G Mattioli, P Giannozzi, A Amore Bonapasta, L Guidoni Journal of the American Chemical Society 135 (41), 15353-15363, 2013 | 274 | 2013 |
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| This article is licensed under a Creative Commons Attribution 3.0 Unported Licence P Giannozzi, S Baroni, N Bonini, M Calandra, R Car, C Cavazzoni, ... Dabo, A. Dal Corso, S. de Gironcoli, S. Fabris, G. Fratesi, R. Gebauer, U …, 2009 | 256 | 2009 |
| Vibrational and dielectric properties of C60 from density‐functional perturbation theory P Giannozzi, S Baroni The Journal of chemical physics 100 (11), 8537-8539, 1994 | 254 | 1994 |
| Towards very large-scale electronic-structure calculations S Baroni, P Giannozzi Europhysics Letters 17 (6), 547, 1992 | 221 | 1992 |
| Structure and thermodynamics of alloys from ab initio Monte Carlo simulations S De Gironcoli, P Giannozzi, S Baroni Physical review letters 66 (16), 2116, 1991 | 214 | 1991 |
