| Crystal09 R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich Wilson, ... Dipartimento di Chimica, 2009 | 2995* | 2009 |
| Disclosing the complex structure of UiO-66 metal organic framework: a synergic combination of experiment and theory L Valenzano, B Civalleri, S Chavan, S Bordiga, MH Nilsen, S Jakobsen, ... Chemistry of Materials 23 (7), 1700-1718, 2011 | 1767 | 2011 |
| 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 | 1695 | 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 | 1490 | 2014 |
| CRYSTAL14 user’s manual R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ... University of Torino, Torino 265, 2014 | 1127 | 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 | 954 | 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 | 906 | 2008 |
| H 2 storage in isostructural UiO-67 and UiO-66 MOFs S Chavan, JG Vitillo, D Gianolio, O Zavorotynska, B Civalleri, S Jakobsen, ... Physical Chemistry Chemical Physics 14 (5), 1614-1626, 2012 | 504 | 2012 |
| CRYSTAL2003 user’s manual VR Saunders, R Dovesi, C Roetti, R Orlando, CM Zicovich-Wilson, ... University of Torino, Torino 14, 2003 | 490 | 2003 |
| Computational and Experimental Studies on the Adsorption of CO, N2, and CO2 on Mg-MOF-74 L Valenzano, B Civalleri, S Chavan, GT Palomino, CO Areán, S Bordiga The Journal of Physical Chemistry C 114 (25), 11185-11191, 2010 | 389 | 2010 |
| Hartree–Fock geometry optimisation of periodic systems with the CRYSTAL code B Civalleri, P D'Arco, R Orlando, VR Saunders, R Dovesi Chemical Physics Letters 348 (1-2), 131-138, 2001 | 344 | 2001 |
| 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 | 289 | 2001 |
| Wiley Interdiscip R Dovesi, A Erba, R Orlando, CM Zicovich-Wilson, B Civalleri, L Maschio, ... Rev.: Comput. Mol. Sci 8 (4), e1360, 2018 | 286 | 2018 |
| Ab initio quantum simulation in solid state chemistry R Dovesi, B Civalleri, C Roetti, VR Saunders, R Orlando Reviews in computational chemistry 21, 1-125, 2005 | 285 | 2005 |
| 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 | 275 | 2012 |
| Identifying the role of terahertz vibrations in metal-organic frameworks: from gate-opening phenomenon to shear-driven structural destabilization MR Ryder, B Civalleri, TD Bennett, S Henke, S Rudić, G Cinque, ... Physical review letters 113 (21), 215502, 2014 | 236 | 2014 |
| Ab-initio calculation of elastic constants of crystalline systems with the CRYSTAL code WF Perger, J Criswell, B Civalleri, R Dovesi Computer Physics Communications 180 (10), 1753-1759, 2009 | 235 | 2009 |
| Ab-initio prediction of materials properties with CRYSTAL: MOF-5 as a case study B Civalleri, F Napoli, Y Noel, C Roetti, R Dovesi CrystEngComm 8 (5), 364-371, 2006 | 229 | 2006 |
| Periodic ab initio study of structural and vibrational features of hexagonal hydroxyapatite Ca 10 (PO 4) 6 (OH) 2 M Corno, C Busco, B Civalleri, P Ugliengo Physical Chemistry Chemical Physics 8 (21), 2464-2472, 2006 | 224 | 2006 |
| Effect of benzoic acid as a modulator in the structure of UiO-66: an experimental and computational study C Atzori, GC Shearer, L Maschio, B Civalleri, F Bonino, C Lamberti, ... The Journal of Physical Chemistry C 121 (17), 9312-9324, 2017 | 220 | 2017 |
