The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code. - Fabien Pascale; Claudio Marcelo Zicovich-Wilson; F. López Gejo; Bartolomeo Civalleri; Roberto Orlando; Roberto Dovesi (J. Comput. Chem., 2004)

Ab-initio calculation of elastic constants of crystalline systems with the CRYSTAL code. - W. F. Perger; Jackson Criswell; Bartolomeo Civalleri; Roberto Dovesi (Comput. Phys. Commun., 2009)

Ab initio periodic study of the conformational behavior of glycine helical homopeptides. - Anna Maria Ferrari; Bartolomeo Civalleri; Roberto Dovesi (J. Comput. Chem., 2010)

Benchmarking dispersion and geometrical counterpoise corrections for cost-effective large-scale DFT calculations of water adsorption on graphene. - Marco Lorenz; Bartolomeo Civalleri; Lorenzo Maschio; Mauro Francesco Sgroi; Daniele Pullini (J. Comput. Chem., 2014)

On the Use of Benchmarks for Multiple Properties. - Bartolomeo Civalleri; Roberto Dovesi; Pascal Pernot; Davide Presti; Andreas Savin (Comput., 2016)

CRYSPLOT: A new tool to visualize physical and chemical properties of molecules, polymers, surfaces, and crystalline solids. - Giorgia Beata; Gianpaolo Perego; Bartolomeo Civalleri (J. Comput. Chem., 2019)

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. - Dario Vassetti; Bartolomeo Civalleri; Frédéric Labat (J. Comput. Chem., 2020)