Ivo Cacelli

H2S photoabsorption and photoionization cross sections by Stieltjes imaging

Ivo Cacelli, Vincenzo Carravetta, Roberto Moccia, 1988 .

Theoretical Prediction of the Abraham Hydrogen Bond Acidity and Basicity Factors from a Reaction Field Method

Alessandro Giolitti, Ivo Cacelli, Silvio Campanile, 2005, J. Chem. Inf. Model..

An automated approach for the parameterization of accurate intermolecular force‐fields: Pyridine as a case study

Ivo Cacelli, Antonella Cimoli, Paolo Roberto Livotto, 2012, J. Comput. Chem..

Force‐field modeling through quantum mechanical calculations: Molecular dynamics simulations of a nematogenic molecule in its condensed phases

Ivo Cacelli, Giacomo Prampolini, Carlo Federico Lami, 2009, J. Comput. Chem..

Parametrization and Validation of Intramolecular Force Fields Derived from DFT Calculations.

Ivo Cacelli, Giacomo Prampolini, I. Cacelli, 2007, Journal of chemical theory and computation.

Joyce and Ulysses: integrated and user-friendly tools for the parameterization of intramolecular force fields from quantum mechanical data.

Vincenzo Barone, Daniele Licari, Ivo Cacelli, 2013, Physical chemistry chemical physics : PCCP.

Calculation of the intermolecular energy of large molecules by a fragmentation scheme: Application to the 4-n-pentyl-4′- cyanobiphenyl (5CB) dimer

Claudio Amovilli, Ivo Cacelli, Silvio Campanile, 2002 .