RAUCCI, UMBERTO

RAUCCI, UMBERTO  

DIPARTIMENTO DI SCIENZE CHIMICHE  

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Titolo Tipologia Data di pubblicazione Autore(i) File
Turn-on fluorescence detection of protein by molecularly imprinted hydrogels based on supramolecular assembly of peptide multi-functional blocks 1.1 Articolo in rivista 2018 Battista, Edmondo; Scognamiglio, Pasqualina L.; Di Luise, Nunzia; Raucci, Umberto; Donati, Greta; Rega, Nadia; Netti, Paolo A.; Causa, Filippo
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 1.1 Articolo in rivista 2017 Savarese, Marika; Raucci, Umberto; Fukuda, Ryoichi; Adamo, Carlo; Ehara, Masahiro; Rega, Nadia; Ciofini, Ilaria
Unveiling the Reactivity of a Synthetic Mimic of the Oxygen Evolving Complex 1.1 Articolo in rivista 2016 Raucci, Umberto; Ciofini, Ilaria; Adamo, Carlo; Rega, Nadia
On the different strength of photoacids 1.1 Articolo in rivista 2016 Cimino, Paola; Raucci, Umberto; Donati, Greta; Chiariello, MARIA GABRIELLA; Schiazza, Martina; Coppola, Federico; Rega, Nadia
A qualitative model to identify non-radiative decay channels: the spiropyran as case study 1.1 Articolo in rivista 2016 Savarese, Marika; Raucci, Umberto; Netti, PAOLO ANTONIO; Adamo, Carlo; 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
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
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
Unveiling anharmonic coupling by means of excited state ab initio dynamics: Application to diarylethene photoreactivity 1.1 Articolo in rivista 2019 Chiariello, Maria Gabriella; Raucci, Umberto; Coppola, Federico; Rega, Nadia
Iron(III) Complexes for Highly Efficient and Sustainable Ketalization of Glycerol: A Combined Experimental and Theoretical Study 1.1 Articolo in rivista 2019 Esposito, Roberto; Raucci, Umberto; Cucciolito, Maria E.; Di Guida, Rossella; Scamardella, Carmen; Rega, Nadia; Ruffo, Francesco
Unveiling the structure of a novel artificial heme-enzyme with peroxidase-like activity: A theoretical investigation 1.1 Articolo in rivista 2018 Perrella, Fulvio; Raucci, Umberto; Chiariello, Maria Gabriella; Chino, Marco; Maglio, Ornella; Lombardi, Angela; Rega, Nadia; Lombardi, Angelina
Shedding light on the interaction of polydatin and resveratrol with G-quadruplex and duplex DNA: a biophysical, computational and biological approach 1.1 Articolo in rivista 2020 Platella, C.; Raucci, U.; Rega, N.; D'Atri, S.; Levati, L.; Roviello, G. N.; Fuggetta, M. P.; Musumeci, D.; Montesarchio, D.
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 1.1 Articolo in rivista 2020 Raucci, U.; Perrella, F.; Donati, G.; Zoppi, M.; Petrone, A.; Rega, N.
Modeling Excited-State Proton Transfer to Solvent: A Dynamics Study of a Super Photoacid with a Hybrid Implicit/Explicit Solvent Model 1.1 Articolo in rivista 2020 Raucci, U.; Chiariello, M. G.; Rega, N.
Modeling the Electron Transfer Chain in an Artificial Photosynthetic Machine 1.1 Articolo in rivista 2020 Raucci, U.; Savarese, M.; Adamo, C.; Ciofini, I.; Rega, N.
An electron density based analysis to establish the electronic adiabaticity of proton coupled electron transfer reactions 1.1 Articolo in rivista 2020 Raucci, U.; Chiariello, M. G.; Coppola, F.; Perrella, F.; Savarese, M.; Ciofini, I.; Rega, N.
Exploring the Franck-Condon region of a photoexcited charge transfer complex in solution to interpret femtosecond stimulated Raman spectroscopy: excited state electronic structure methods to unveil non-radiative pathways 1.1 Articolo in rivista 2021 Coppola, F.; Cimino, P.; Raucci, U.; Chiariello, M. G.; Petrone, A.; Rega, N.
Cyclic Vomiting Syndrome in Children 1.1 Articolo in rivista 2020 Raucci, U.; Borrelli, O.; Di Nardo, G.; Tambucci, R.; Pavone, P.; Salvatore, S.; Baldassarre, M. E.; Cordelli, D. M.; Falsaperla, R.; Felici, E.; Ferilli, M. A. N.; Grosso, S.; Mallardo, S.; Martinelli, D.; Quitadamo, P.; Pensabene, L.; Romano, C.; Savasta, S.; Spalice, A.; Strisciuglio, C.; Suppiej, A.; Valeriani, M.; Zenzeri, L.; Verrotti, A.; Staiano, A.; Villa, M. P.; Ruggieri, M.; Striano, P.; Parisi, P.
Water-Mediated Excited State Proton Transfer of Pyranine-Acetate in Aqueous Solution: Vibrational Fingerprints from Ab Initio Molecular Dynamics 1.1 Articolo in rivista 2021 Chiariello, M. G.; Raucci, U.; Donati, G.; Rega, N.