SAVARESE, MARIKA

SAVARESE, MARIKA  

DIPARTIMENTO DI SCIENZE CHIMICHE  

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Risultati 1 - 13 di 13 (tempo di esecuzione: 0.029 secondi).
Titolo Tipologia Data di pubblicazione Autore(i) File
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
Excited-State Proton Transfer and Intramolecular Charge Transfer in 1,3-Diketone Molecules 1.1 Articolo in rivista 2016 Savarese, Marika; Brémond, Éric; Adamo, Carlo; Rega, Nadia; Ciofini, Ilaria
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
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
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
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.
Free Energy Profiles of Proton Transfer Reactions: Density Functional Benchmark from Biased Ab Initio Dynamics 1.1 Articolo in rivista 2022 Brémond, Éric; Savarese, Marika; Rega, Nadia; Ciofini, Ilaria; Adamo, Carlo