 | 2005 |
|---|
| 4 |       | Philippe Carbonniere,
Tecla Lucca,
Claude Pouchan,
Nadia Rega,
Vincenzo Barone:
Vibrational computations beyond the harmonic approximation: Performances of the B3LYP density functional for semirigid molecules.
Journal of Computational Chemistry 26(4): 384-388 (2005) |
| 2003 |
|---|
| 3 | | Maurizio Cossi,
Nadia Rega,
Giovanni Scalmani,
Vincenzo Barone:
Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model.
Journal of Computational Chemistry 24(6): 669-681 (2003) |
| 2002 |
|---|
| 2 | | 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) |
| 1999 |
|---|
| 1 | | Nadia Rega,
Maurizio Cossi,
Vincenzo Barone:
Improving performance of polarizable continuum model for study of large molecules in solution.
Journal of Computational Chemistry 20(11): 1186-1198 (1999) |
