Bartolomeo Civalleri

Publication Activity (10 Years)

Years Active: 2004-2020
Publications (10 Years): 3

Top Topics

Chemical Reactions

Cost Effectiveness

Top Venues

J. Comput. Chem.

Publications

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) (2020)
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) (2019)
Bartolomeo Civalleri, Roberto Dovesi, Pascal Pernot, Davide Presti, Andreas Savin
On the Use of Benchmarks for Multiple Properties. Comput. 4 (2) (2016)
Marco Lorenz, Bartolomeo Civalleri, Lorenzo Maschio, Mauro 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) (2014)
Anna Maria Ferrari, Bartolomeo Civalleri, Roberto Dovesi
periodic study of the conformational behavior of glycine helical homopeptides. J. Comput. Chem. 31 (8) (2010)
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) (2009)
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) (2004)