Analytical first derivatives of molecular surfaces with respect to nuclear coordinates. - Maurizio Cossi; Benedetta Mennucci; Roberto Cammi (J. Comput. Chem., 1996)

Geometry optimization of molecular structures in solution by the polarizable continuum model. - Vincenzo Barone; Maurizio Cossi; Jacopo Tomasi (J. Comput. Chem., 1998)

Correction of cavity-induced errors in polarization charges of continuum solvation models. - Maurizio Cossi; Benedetta Mennucci; Jesús Pitarch; Jacopo Tomasi (J. Comput. Chem., 1998)

Effective generation of molecular cavities in polarizable continuum model by DefPol procedure. - Christian Silvio Pomelli; Jacopo Tomasi; Maurizio Cossi; Vincenzo Barone (J. Comput. Chem., 1999)

Improving performance of polarizable continuum model for study of large molecules in solution. - Nadia Rega; Maurizio Cossi; Vincenzo Barone (J. Comput. Chem., 1999)

Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model. - Maurizio Cossi; Nadia Rega; Giovanni Scalmani; Vincenzo Barone (J. Comput. Chem., 2003)

Building cavities in a fluid of spherical or rod-like particles: A contribution to the solvation free energy in isotropic and anisotropic polarizable continuum model. - Caterina Benzi; Maurizio Cossi; Roberto Improta; Vincenzo Barone (J. Comput. Chem., 2005)