2008 |
5 | EE | Fabrizio Santoro,
Vincenzo Barone,
Roberto Improta:
Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case.
Journal of Computational Chemistry 29(6): 957-964 (2008) |
2005 |
4 | EE | Caterina Benzi,
Maurizio Cossi,
Roberto Improta,
Vincenzo Barone:
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.
Journal of Computational Chemistry 26(11): 1096-1105 (2005) |
2004 |
3 | EE | Roberto Improta,
Vincenzo Barone:
Assessing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions.
Journal of Computational Chemistry 25(11): 1333-1341 (2004) |
2002 |
2 | EE | Caterina Benzi,
Roberto Improta,
Giovanni Scalmani,
Vincenzo Barone:
Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution.
Journal of Computational Chemistry 23(3): 341-350 (2002) |
1 | EE | Emma Langella,
Nadia Rega,
Roberto Improta,
Orlando Crescenzi,
Vincenzo Barone:
Conformational analysis of the tyrosine dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent model.
Journal of Computational Chemistry 23(6): 650-661 (2002) |