Nadia Rega
Orcid: 0000-0002-2983-766X
According to our database1,
Nadia Rega
authored at least 9 papers
between 1999 and 2024.
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Bibliography
2024
Tuning ultrafast time-evolution of photo-induced charge-transfer states: A real-time electronic dynamics study in substituted indenotetracene derivatives.
J. Comput. Chem., 2024
2020
Ab-initio molecular dynamics and hybrid explicit-implicit solvation model for aqueous and nonaqueous solvents: GFP chromophore in water and methanol solution as case study.
J. Comput. Chem., 2020
An electron density based analysis to establish the electronic adiabaticity of proton coupled electron transfer reactions.
J. Comput. Chem., 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 study.
J. Comput. Chem., 2017
2005
Vibrational computations beyond the harmonic approximation: Performances of the B3LYP density functional for semirigid molecules.
J. Comput. Chem., 2005
2003
Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model.
J. Comput. Chem., 2003
2002
Conformational analysis of the tyrosine dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent model.
J. Comput. Chem., 2002
1999
Improving performance of polarizable continuum model for study of large molecules in solution.
J. Comput. Chem., 1999