Nadia Rega - researchr alias

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Viewing Publication 1 - 9 from 9

2024

Tuning ultrafast time-evolution of photo-induced charge-transfer states: A real-time electronic dynamics study in substituted indenotetracene derivativesLuigi Crisci, Federico Coppola, Alessio Petrone, Nadia Rega. jcc, 45(4):210-221, 2024. [doi]

2020

2017

Comparing the performance of TD-DFT and SAC-CI methods in the description of excited states potential energy surfaces: An excited state proton transfer reaction as case studyMarika Savarese, Umberto Raucci, Ryoichi Fukuda, Carlo Adamo, Masahiro Ehara, Nadia Rega, Ilaria Ciofini. jcc, 38(14):1084-1092, 2017. [doi]

2005

Vibrational computations beyond the harmonic approximation: Performances of the B3LYP density functional for semirigid moleculesPhilippe Carbonniere, Tecla Lucca, Claude Pouchan, Nadia Rega, Vincenzo Barone. jcc, 26(4):384-388, 2005. [doi]

2003

Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation modelMaurizio Cossi, Nadia Rega, Giovanni Scalmani, Vincenzo Barone. jcc, 24(6):669-681, 2003. [doi]

2002

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]

1999

Improving performance of polarizable continuum model for study of large molecules in solutionNadia Rega, Maurizio Cossi, Vincenzo Barone. jcc, 20(11):1186-1198, 1999. [doi]

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