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Bartolomeo Civalleri
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2020 – today
- 2020
- [j7]Dario Vassetti, Bartolomeo Civalleri, Frédéric Labat:
Analytical calculation of the solvent-accessible surface area and its nuclear gradients by stereographic projection: A general approach for molecules, polymers, nanotubes, helices, and surfaces. J. Comput. Chem. 41(15): 1464-1479 (2020)
2010 – 2019
- 2019
- [j6]Giorgia Beata, Gianpaolo Perego, Bartolomeo Civalleri:
CRYSPLOT: A new tool to visualize physical and chemical properties of molecules, polymers, surfaces, and crystalline solids. J. Comput. Chem. 40(26): 2329-2338 (2019) - 2016
- [j5]Bartolomeo Civalleri, Roberto Dovesi, Pascal Pernot, Davide Presti, Andreas Savin:
On the Use of Benchmarks for Multiple Properties. Comput. 4(2): 20 (2016) - 2014
- [j4]Marco Lorenz, Bartolomeo Civalleri, Lorenzo Maschio, Mauro Francesco Sgroi, Daniele Pullini:
Benchmarking dispersion and geometrical counterpoise corrections for cost-effective large-scale DFT calculations of water adsorption on graphene. J. Comput. Chem. 35(24): 1789-1800 (2014) - 2010
- [j3]Anna Maria Ferrari, Bartolomeo Civalleri, Roberto Dovesi:
Ab initio periodic study of the conformational behavior of glycine helical homopeptides. J. Comput. Chem. 31(8): 1777-1784 (2010)
2000 – 2009
- 2009
- [j2]W. F. Perger, Jackson Criswell, Bartolomeo Civalleri, Roberto Dovesi:
Ab-initio calculation of elastic constants of crystalline systems with the CRYSTAL code. Comput. Phys. Commun. 180(10): 1753-1759 (2009) - 2004
- [j1]Fabien Pascale, Claudio Marcelo Zicovich-Wilson, F. López Gejo, Bartolomeo Civalleri, Roberto Orlando, Roberto Dovesi:
The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code. J. Comput. Chem. 25(6): 888-897 (2004)
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