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Mostrati risultati da 41 a 60 di 129
Titolo Tipologia Data di pubblicazione Autore(i) File
Describing Excited State Intramolecular Proton Transfer (ESIPT) in Dual Emissive Systems: A Density Functional Theory Based Analysis 1.1 Articolo in rivista 2015 Liam, Wilbraham; Savarese, Marika; Rega, Nadia; Carlo, Adamo; Ilaria, Ciofini
Exploring excited states using Time Dependent Density Functional Theory and density-based indexes 1.1 Articolo in rivista 2015 Adamo, Carlo; Le Bahers, Tangui; Savarese, Marika; Wilbraham, Liam; García, Gregorio; Fukuda, Ryoichi; Ehara, Masahiro; Rega, Nadia; Ciofini, Ilaria
Intrinsic and dynamical reaction pathways of an excited state proton transfer 1.1 Articolo in rivista 2015 Raucci, Umberto; Savarese, Marika; Adamo, Carlo; Ciofini, Ilaria; Rega, Nadia
Time-resolved vibrational analysis to unveil excited state proton transfer mechanisms: A theoretical-computational protocol 4.2 Abstract in Atti di convegno 2014 Donati, Greta; Petrone, Alessio; Rega, Nadia
Another Brick in the Wall of PCET reactions:a DFT point of view 4.2 Abstract in Atti di convegno 2014 Raucci, Umberto; Savarese, Marika; Rega, Nadia
Excited state proton transfer reacitons and DFT: old and new challenges 4.2 Abstract in Atti di convegno 2014 Rega, Nadia
From Charge-Transfer to Charge-Separated State: A Perspective from the Real-Time TDDFT Excitonic Dynamics 1.1 Articolo in rivista 2014 Petrone, Alessio; David B., Lingerfelt; Rega, Nadia; Xiaosong, Li
Understanding THz and IR signals beneath time-resolved fluorescence from excited state ab-initio dynamics 1.1 Articolo in rivista 2014 Petrone, Alessio; Donati, Greta; Pasquale, Caruso; Rega, Nadia
Exploring the reactivity by integrating the intrinsic reaction coordinate: The excited state proton transfer in the Green Fluorescent Protein 4.2 Abstract in Atti di convegno 2014 Petrone, Alessio; Paola, Cimino; Hrant P., Hratchian; Michael J., Frisch; Rega, Nadia
Integration of binding peptide selection and multifunctional particles as tool-box for capture of soluble proteins in serum 1.1 Articolo in rivista 2014 A. M., Cusano; Causa, Filippo; R. D., Moglie; N., Falco; Scognamiglio, PASQUALINA LIANA; A., Aliberti; R., Vecchione; E., Battista; Marasco, Daniela; M., Savarese; U., Raucci; Rega, Nadia; Netti, PAOLO ANTONIO
Intermolecular proton shuttling in excited state proton transfer reactions: insights from theory 1.1 Articolo in rivista 2014 Savarese, Marika; Netti, PAOLO ANTONIO; Rega, Nadia; Carlo, Adamo; Ilaria, Ciofini
Modeling of charge transfer processes to understand photophysical signatures: The case of Rhodamine 110 1.1 Articolo in rivista 2014 Savarese, Marika; Raucci, Umberto; Netti, PAOLO ANTONIO; Carlo, Adamo; Ilaria, Ciofini; Rega, Nadia
Non-radiative decay paths in rhodamines: new theoretical insights 1.1 Articolo in rivista 2014 Savarese, Marika; Raucci, Umberto; Carlo, Adamo; Netti, PAOLO ANTONIO; Ilaria, Ciofini; Rega, Nadia
Exploring the Metric of Excited State Proton Transfer Reactions 1.1 Articolo in rivista 2013 Marika, Savarese; Netti, PAOLO ANTONIO; Carlo, Adamo; Rega, Nadia; Ilaria, Ciofini
On the optical absorption of the anionic GFP chromophore in vacuum, solution, and protein 1.1 Articolo in rivista 2013 Petrone, Alessio; Pasquale, Caruso; Silvia, Tenuta; Rega, Nadia
Fluorescence Lifetimes and Quantum Yields of Rhodamine Derivatives: New Insights from Theory and Experiment 1.1 Articolo in rivista 2012 Marika, Savarese; Anna, Aliberti; Ilaria De, Santo; Edmondo, Battista; Causa, Filippo; Netti, PAOLO ANTONIO; Rega, Nadia
Effects of molecular dynamics and solvation on the electronic structure of molecular probes 1.1 Articolo in rivista 2012 P., Caruso; Causa', Mauro; P., Cimino; Crescenzi, Orlando; D'Amore, Maddalena; R., Improta; Pavone, Michele; Rega, Nadia
Preface to the special collection in honour of Vincenzo Barone 1.1 Articolo in rivista 2012 Russo, Nino; Rega, Nadia; Adamo, Carlo
Photochemical reactivity of N-benzylamides 8.02 Comunicazioni a Convegni o Seminari 2011 Temussi, Fabio; Bassolino, G.; DELLA GRECA, Marina; Iesce, MARIA ROSARIA; Passananti, Monica; Previtera, Lucio; Rega, Nadia; Savarese, M.
Theoretical study on the wt-GFP absorption 8.02 Comunicazioni a Convegni o Seminari 2011 S., Tenuta; P., Caruso; Rega, Nadia
Mostrati risultati da 41 a 60 di 129
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