| Crystal09 R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich Wilson, ... Dipartimento di Chimica, 2009 | 2982* | 2009 |
| Quantum‐mechanical condensed matter simulations with CRYSTAL R Dovesi, A Erba, R Orlando, CM Zicovich‐Wilson, B Civalleri, L Maschio, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (4), e1360, 2018 | 1621 | 2018 |
| CRYSTAL14: A program for the ab initio investigation of crystalline solids R Dovesi, R Orlando, A Erba, CM Zicovich‐Wilson, B Civalleri, S Casassa, ... International Journal of Quantum Chemistry 114 (19), 1287-1317, 2014 | 1476 | 2014 |
| CRYSTAL14 user’s manual R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ... University of Torino, Torino 265, 2014 | 1109 | 2014 |
| The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code F Pascale, CM Zicovich‐Wilson, F López Gejo, B Civalleri, R Orlando, ... Journal of computational chemistry 25 (6), 888-897, 2004 | 940 | 2004 |
| B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals B Civalleri, CM Zicovich-Wilson, L Valenzano, P Ugliengo CrystEngComm 10 (4), 405-410, 2008 | 884 | 2008 |
| Gradient damage models and their use to approximate brittle fracture K Pham, H Amor, JJ Marigo, C Maurini International Journal of Damage Mechanics 20 (4), 618-652, 2011 | 658 | 2011 |
| Calculation of the vibration frequencies of α‐quartz: The effect of Hamiltonian and basis set CM Zicovich‐Wilson, F Pascale, C Roetti, VR Saunders, R Orlando, ... Journal of computational chemistry 25 (15), 1873-1881, 2004 | 533 | 2004 |
| CRYSTAL2003 user’s manual VR Saunders, R Dovesi, C Roetti, R Orlando, CM Zicovich-Wilson, ... University of Torino, Torino 14, 2003 | 489 | 2003 |
| Polarization properties of ZnO and BeO: An ab initio study through the Berry phase and Wannier functions approaches Y Noel, CM Zicovich-Wilson, B Civalleri, P D’arco, R Dovesi Physical Review B 65 (1), 014111, 2001 | 287 | 2001 |
| Wiley Interdiscip R Dovesi, A Erba, R Orlando, CM Zicovich-Wilson, B Civalleri, L Maschio, ... Rev.: Comput. Mol. Sci 8 (4), e1360, 2018 | 276 | 2018 |
| Exceptionally low shear modulus in a prototypical imidazole-based metal-organic framework JC Tan, B Civalleri, CC Lin, L Valenzano, R Galvelis, PF Chen, ... Physical review letters 108 (9), 095502, 2012 | 266 | 2012 |
| Ab Initio Study of the Vibrational Spectrum and Related Properties of Crystalline Compounds; the Case of CaCO3 Calcite L Valenzano, FJ Torres, K Doll, F Pascale, CM Zicovich-Wilson, R Dovesi Oldenbourg Wissenschaftsverlag 220 (7), 893-912, 2006 | 255 | 2006 |
| Local-MP2 electron correlation method for nonconducting crystals C Pisani, M Busso, G Capecchi, S Casassa, R Dovesi, L Maschio, ... The Journal of chemical physics 122 (9), 2005 | 241 | 2005 |
| Preferential location of Ge in the double four-membered ring units of ITQ-7 zeolite T Blasco, A Corma, MJ Díaz-Cabañas, F Rey, JA Vidal-Moya, ... The Journal of Physical Chemistry B 106 (10), 2634-2642, 2002 | 238 | 2002 |
| A general method to obtain well localized Wannier functions for composite energy bands in linear combination of atomic orbital periodic calculations CM Zicovich-Wilson, R Dovesi, VR Saunders The Journal of Chemical Physics 115 (21), 9708-9719, 2001 | 238 | 2001 |
| The vibrational spectrum of calcite (CaCO3): an ab initio quantum-mechanical calculation M Prencipe, F Pascale, CM Zicovich-Wilson, VR Saunders, R Orlando, ... Physics and Chemistry of Minerals 31, 559-564, 2004 | 216 | 2004 |
| Flexibility in a metal–organic framework material controlled by weak dispersion forces: the bistability of MIL‐53 (Al) AM Walker, B Civalleri, B Slater, C Mellot‐Draznieks, F Corà, ... Angewandte Chemie International Edition 49 (41), 7501-7503, 2010 | 191 | 2010 |
| Vibration frequencies of Mg3Al2Si3O12 pyrope. An ab initio study with the CRYSTAL code F Pascale, CM Zicovich-Wilson, R Orlando, C Roetti, P Ugliengo, ... The Journal of Physical Chemistry B 109 (13), 6146-6152, 2005 | 177 | 2005 |
| Vibrational spectrum of brucite, Mg (OH) 2: a periodic ab initio quantum mechanical calculation including OH anharmonicity F Pascale, S Tosoni, C Zicovich-Wilson, P Ugliengo, R Orlando, R Dovesi Chemical Physics Letters 396 (4-6), 308-315, 2004 | 166 | 2004 |
