Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution. - Caterina Benzi; Roberto Improta; Giovanni Scalmani; Vincenzo Barone (J. Comput. Chem., 2002)

Conformational analysis of the tyrosine dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent model. - Emma Langella; Nadia Rega; Roberto Improta; Orlando Crescenzi; Vincenzo Barone (J. Comput. Chem., 2002)

Assessing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions. - Roberto Improta; Vincenzo Barone (J. Comput. Chem., 2004)

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)

Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case. - Fabrizio Santoro; Vincenzo Barone; Roberto Improta (J. Comput. Chem., 2008)