Theoretical Prediction of the Abraham Hydrogen Bond Acidity and Basicity Factors from a Reaction Field Method. - Ivo Cacelli; Silvio Campanile; Alessandro Giolitti; Dafne Molin (J. Chem. Inf. Model., 2005)

Force-field modeling through quantum mechanical calculations: Molecular dynamics simulations of a nematogenic molecule in its condensed phases. - Ivo Cacelli; Carlo Federico Lami; Giacomo Prampolini (J. Comput. Chem., 2009)

An automated approach for the parameterization of accurate intermolecular force-fields: Pyridine as a case study. - Ivo Cacelli; Antonella Cimoli; Paolo Roberto Livotto; Giacomo Prampolini (J. Comput. Chem., 2012)