IRIS

PETRONE, ALESSIO

PETRONE, ALESSIO  

DIPARTIMENTO DI SCIENZE CHIMICHE  

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Risultati 1 - 20 di 55 (tempo di esecuzione: 0.049 secondi).
Titolo Tipologia Data di pubblicazione Autore(i) File
Vibrational analysis of trans N-methyl-acetamide in aqueous solution from ab-initio molecular dynamics 8.02 Comunicazioni a Convegni o Seminari 2011 G., Donatia; G., Brancato; Petrone, Alessio; V., Barone; Rega, Nadia
A theoretical model for the study of the time-resolved fluorescence 8.02 Comunicazioni a Convegni o Seminari 2011 Petrone, Alessio; G., Brancato; 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
"Watching" Polaron Pair Formation from First-Principles Electron-Nuclear Dynamics 1.1 Articolo in rivista 2016 Donati, Greta; Lingerfelt, David B; Petrone, Alessio; Rega, Nadia; Li, Xiaosong
On the Driving Force of the Excited-State Proton Shuttle in the Green Fluorescent Protein: A Time-Dependent Density Functional Theory (TD-DFT) Study of the Intrinsic Reaction Path 1.1 Articolo in rivista 2016 Petrone, Alessio; Cimino, Paola; Donati, Greta; Hratchian, Hrant P; Frisch, Michael J; Rega, Nadia
Absorption and emission spectral shapes of a prototype dye in water by combining classical/dynamical and quantum/static approaches 1.1 Articolo in rivista 2015 Petrone, Alessio; Cerezo, Javier; Ferrer, Francisco J. Avila; Donati, Greta; Improta, Roberto; Rega, Nadia; Santoro, Fabrizio
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; Cimino, Paola; Hratchian, Hrant P.; Frisch, Michael J.; 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
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
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
Vibrational analysis of x-ray absorption fine structure thermal factors by ab initio molecular dynamics: The Zn(II) ion in aqueous solution as a case study 1.1 Articolo in rivista 2011 Rega, Nadia; Brancato, Giuseppe; Petrone, Alessio; Caruso, Pasquale; Barone, Vincenzo
High-pressure, high-temperature molecular doping of nanodiamond 1.1 Articolo in rivista 2019 Crane, M. J.; Petrone, A.; Beck, R. A.; Lim, M. B.; Zhou, X.; Li, X.; Stroud, R. M.; Pauzauskie, P. J.
Carboxylate Anchors Act as Exciton Reporters in 1.3 nm Indium Phosphide Nanoclusters 1.1 Articolo in rivista 2019 Leger, J. D.; Friedfeld, M. R.; Beck, R. A.; Gaynor, J. D.; Petrone, A.; Li, X.; Cossairt, B. M.; Khalil, M.
Mixed Cation FA x PEA 1–x PbI 3 with Enhanced Phase and Ambient Stability toward High-Performance Perovskite Solar Cells 1.1 Articolo in rivista 2017 Li, N.; Zhu, Z.; Chueh, C. -C.; Liu, H.; Peng, B.; Petrone, A.; Li, X.; Wang, L.; Jen, A. K. -Y.
Mapping Vibronic Couplings in a Solar Cell Dye with Polarization-Selective Two-Dimensional Electronic-Vibrational Spectroscopy 1.1 Articolo in rivista 2018 Gaynor, J. D.; Petrone, A.; Li, X.; Khalil, M.
Single-Crystal and Electronic Structure of a 1.3 nm Indium Phosphide Nanocluster 1.1 Articolo in rivista 2016 Gary, D. C.; Flowers, S. E.; Kaminsky, W.; Petrone, A.; Li, X.; Cossairt, B. M.
Direct ab Initio (Meta-)Surface-Hopping Dynamics 1.1 Articolo in rivista 2016 Lingerfelt, D. B.; Williams-Young, D. B.; Petrone, A.; Li, X.
Does Thermal Breathing Affect Collision Cross Sections of Gas-Phase Peptide Ions? An Ab Initio Molecular Dynamics Study 1.1 Articolo in rivista 2016 Pepin, R.; Petrone, A.; Laszlo, K. J.; Bush, M. F.; Li, X.; Turecek, F.
Classical or Quantum? A Computational Study of Small Ion Diffusion in II-VI Semiconductor Quantum Dots 1.1 Articolo in rivista 2016 Chong, E. Q.; Lingerfelt, D. B.; Petrone, A.; Li, X.
Quantum confinement effects on optical transitions in nanodiamonds containing nitrogen vacancies 1.1 Articolo in rivista 2016 Petrone, A.; Goings, J. J.; Li, X.