Sfoglia per Autore
Hematemesis in Infants: The First Evidence-Based Score to Predict the Need for Timely Endoscopy
2022 Quitadamo, P.; Anselmi, F.; Mantegazza, C.; Tambucci, R.; Campanozzi, A.; Malamisura, M.; Raucci, U.; Tipo, V.; Dolce, P.; Saccomani, M. D.; Chiaro, A.; Mancini, V.; Felici, E.; Orizio, P.; Parma, B.; Salvatore, S.; Borrelli, O.
Water-Mediated Excited State Proton Transfer of Pyranine-Acetate in Aqueous Solution: Vibrational Fingerprints from Ab Initio Molecular Dynamics
2021 Chiariello, M. G.; Raucci, U.; Donati, G.; Rega, N.
Structural Origin and Vibrational Fingerprints of the Ultrafast Excited State Proton Transfer of the Pyranine-Acetate Complex in Aqueous Solution
2021 Chiariello, M. G.; Donati, G.; Raucci, U.; Perrella, F.; 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
2021 Coppola, F.; Cimino, P.; Raucci, U.; Chiariello, M. G.; Petrone, A.; Rega, N.
Modeling the Electron Transfer Chain in an Artificial Photosynthetic Machine
2020 Raucci, U.; Savarese, M.; Adamo, C.; Ciofini, I.; Rega, N.
Modeling Excited-State Proton Transfer to Solvent: A Dynamics Study of a Super Photoacid with a Hybrid Implicit/Explicit Solvent Model
2020 Raucci, U.; Chiariello, M. G.; Rega, N.
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
2020 Raucci, U.; Perrella, F.; Donati, G.; Zoppi, M.; Petrone, A.; Rega, N.
An electron density based analysis to establish the electronic adiabaticity of proton coupled electron transfer reactions
2020 Raucci, U.; Chiariello, M. G.; Coppola, F.; Perrella, F.; Savarese, M.; Ciofini, I.; Rega, N.
Cyclic Vomiting Syndrome in Children
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.
Shedding light on the interaction of polydatin and resveratrol with G-quadruplex and duplex DNA: a biophysical, computational and biological approach
2020 Platella, C.; Raucci, U.; Rega, N.; D'Atri, S.; Levati, L.; Roviello, G. N.; Fuggetta, M. P.; Musumeci, D.; Montesarchio, D.
Unveiling anharmonic coupling by means of excited state ab initio dynamics: Application to diarylethene photoreactivity
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
2019 Esposito, Roberto; Raucci, Umberto; Cucciolito, Maria E.; Di Guida, Rossella; Scamardella, Carmen; Rega, Nadia; Ruffo, Francesco
Turn-on fluorescence detection of protein by molecularly imprinted hydrogels based on supramolecular assembly of peptide multi-functional blocks
2018 Battista, Edmondo; Scognamiglio, Pasqualina L.; Di Luise, Nunzia; Raucci, Umberto; Donati, Greta; Rega, Nadia; Netti, Paolo A.; Causa, Filippo
Unveiling the structure of a novel artificial heme-enzyme with peroxidase-like activity: A theoretical investigation
2018 Perrella, Fulvio; Raucci, Umberto; Chiariello, Maria Gabriella; Chino, Marco; Maglio, Ornella; Lombardi, Angela; Rega, Nadia; Lombardi, Angelina
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
2017 Savarese, Marika; Raucci, Umberto; Fukuda, Ryoichi; Adamo, Carlo; Ehara, Masahiro; Rega, Nadia; Ciofini, Ilaria
A qualitative model to identify non-radiative decay channels: the spiropyran as case study
2016 Savarese, Marika; Raucci, Umberto; Netti, PAOLO ANTONIO; Adamo, Carlo; Rega, Nadia; Ciofini, Ilaria
On the different strength of photoacids
2016 Cimino, Paola; Raucci, Umberto; Donati, Greta; Chiariello, MARIA GABRIELLA; Schiazza, Martina; Coppola, Federico; Rega, Nadia
Unveiling the Reactivity of a Synthetic Mimic of the Oxygen Evolving Complex
2016 Raucci, Umberto; Ciofini, Ilaria; Adamo, Carlo; Rega, Nadia
Intrinsic and dynamical reaction pathways of an excited state proton transfer
2015 Raucci, Umberto; Savarese, Marika; Adamo, Carlo; Ciofini, Ilaria; Rega, Nadia
Non-radiative decay paths in rhodamines: new theoretical insights
2014 Savarese, Marika; Raucci, Umberto; Carlo, Adamo; Netti, PAOLO ANTONIO; Ilaria, Ciofini; Rega, Nadia
| Titolo | Tipologia | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|---|
| Hematemesis in Infants: The First Evidence-Based Score to Predict the Need for Timely Endoscopy | 1.1 Articolo in rivista | 2022 | Quitadamo, P.; Anselmi, F.; Mantegazza, C.; Tambucci, R.; Campanozzi, A.; Malamisura, M.; Raucci, U.; Tipo, V.; Dolce, P.; Saccomani, M. D.; Chiaro, A.; Mancini, V.; Felici, E.; Orizio, P.; Parma, B.; Salvatore, S.; Borrelli, O. | |
| 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. | |
| Structural Origin and Vibrational Fingerprints of the Ultrafast Excited State Proton Transfer of the Pyranine-Acetate Complex in Aqueous Solution | 1.1 Articolo in rivista | 2021 | Chiariello, M. G.; Donati, G.; Raucci, U.; Perrella, F.; 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. | |
| 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. | |
| 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. | |
| 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. | |
| 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. | |
| 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. | |
| 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. | |
| 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 | |
| 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 | |
| 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 | |
| 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 | |
| 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 | |
| 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 | |
| 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 | |
| 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 | |
| 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 |
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