Roberto Improta - researchr alias

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Viewing Publication 1 - 5 from 5

2008

Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test caseFabrizio Santoro, Vincenzo Barone, Roberto Improta. jcc, 29(6):957-964, 2008. [doi]

2005

Building cavities in a fluid of spherical or rod-like particles: A contribution to the solvation free energy in isotropic and anisotropic polarizable continuum modelCaterina Benzi, Maurizio Cossi, Roberto Improta, Vincenzo Barone. jcc, 26(11):1096-1105, 2005. [doi]

2004

Assessing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactionsRoberto Improta, Vincenzo Barone. jcc, 25(11):1333-1341, 2004. [doi]

2002

Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solutionCaterina Benzi, Roberto Improta, Giovanni Scalmani, Vincenzo Barone. jcc, 23(3):341-350, 2002. [doi]

Conformational analysis of the tyrosine dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent modelEmma Langella, Nadia Rega, Roberto Improta, Orlando Crescenzi, Vincenzo Barone. jcc, 23(6):650-661, 2002. [doi]

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