| CRYSTAL09 user’s manual R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ... University of Torino, Torino 220 (2005), 571, 2009 | 2094 | 2009 |
| 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 | 1241 | 2014 |
| CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals R Dovesi, R Orlando, B Civalleri, C Roetti, VR Saunders, ... Zeitschrift für Kristallographie-Crystalline Materials 220 (5/6), 571-573, 2005 | 1163* | 2005 |
| 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 | 1055 | 2011 |
| CRYSTAL14 user’s manual R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ... University of Torino, Torino, 382, 2014 | 757 | 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 | 743 | 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 | 616 | 2008 |
| 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 | 541 | 2018 |
| CRYSTAL2003 user’s manual VR Saunders, R Dovesi, C Roetti, R Orlando, CM Zicovich-Wilson, ... University of Torino, Torino 14, 2003 | 453 | 2003 |
| 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 | 345 | 2012 |
| 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 | 301 | 2001 |
| 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 | 296 | 2010 |
| 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 | 242 | 2001 |
| Ab initio quantum simulation in solid state chemistry R Dovesi, B Civalleri, R Orlando, C Roetti, VR Saunders Reviews in computational chemistry 21, 1, 2005 | 236 | 2005 |
| CRYSTAL09 User’s Manual; University of Torino: Torino, 2009 R Dovesi, VR Saunders, C Roetti, R Orlando, CM Zicovich-Wilson, ... Google Scholar There is no corresponding record for this reference, 2013 | 212 | 2013 |
| Ab-initio prediction of materials properties with CRYSTAL: MOF-5 as a case study B Civalleri, F Napoli, Y Noël, C Roetti, R Dovesi CrystEngComm 8 (5), 364-371, 2006 | 200 | 2006 |
| 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 | 193 | 2012 |
| 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 | 166 | 2009 |
| Intermolecular interaction energies in molecular crystals: comparison and agreement of localized Møller–Plesset 2, dispersion-corrected density functional, and classical … L Maschio, B Civalleri, P Ugliengo, A Gavezzotti The Journal of Physical Chemistry A 115 (41), 11179-11186, 2011 | 163 | 2011 |
| 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 | 162 | 2006 |
