Bartolomeo Civalleri
Orcid: 0000-0003-3198-3161
According to our database1,
Bartolomeo Civalleri
authored at least 7 papers
between 2004 and 2020.
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Bibliography
2020
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., 2020
2019
CRYSPLOT: A new tool to visualize physical and chemical properties of molecules, polymers, surfaces, and crystalline solids.
J. Comput. Chem., 2019
2016
2014
Benchmarking dispersion and geometrical counterpoise corrections for cost-effective large-scale DFT calculations of water adsorption on graphene.
J. Comput. Chem., 2014
2010
<i>Ab initio</i> periodic study of the conformational behavior of glycine helical homopeptides.
J. Comput. Chem., 2010
2009
Ab-initio calculation of elastic constants of crystalline systems with the CRYSTAL code.
Comput. Phys. Commun., 2009
2004
The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code.
J. Comput. Chem., 2004