Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
Unexpected impact of esterification on the antioxidant activity and (photo)stability of a eumelanin from 5,6-dihydroxyindole-2-carboxylic acid
2018 Micillo, Raffaella; Iacomino, Mariagrazia; Perfetti, Marco; Panzella, Lucia; Koike, Kenzo; D'Errico, Gerardino; D'Ischia, Marco; Napolitano, Alessandra
The Unexplored World of Cycloalkene–Water Complexes: Primary and Assisting Interactions Unraveled by Experimental and Computational Spectroscopy
2019 Wang, J.; Spada, L.; Chen, J.; Gao, S.; Alessandrini, S.; Feng, G.; Puzzarini, C.; Gou, Q.; Grabow, J. -U.; Barone, V.
Unimolecular Variant of the Fluorescence Turn-On Oxidative Coupling of Catecholamines with Resorcinols
2019 Iacomino, Mariagrazia; Laura Alfieri, Maria; Crescenzi, Orlando; D'Ischia, Marco; Napolitano, Alessandra
Universal stress protein HRU1 mediates ROS homeostasis under anoxia
2015 Gonzali, Silvia; Loreti, Elena; Cardarelli, Francesco; Novi, Giacomo; Parlanti, Sandro; Pucciariello, Chiara; Bassolino, Laura; Banti, Valeria; Licausi, Francesco; Perata, Pierdomenico
Unlocking the Power of Resonance Raman Spectroscopy: the Case of Amides in Aqueous Solution
2021 Gómez, Sara; Egidi, Franco; Puglisi, Alessandra; Giovannini, Tommaso; Rossi, Barbara; Cappelli, Chiara
Unraveling Solvent Effects on the Electronic Absorption Spectra of TRITC Fluorophore in Solution: a Theoretical TD-DFT/PCM Study
2010 A., Pedone; Barone, Vincenzo
Unraveling Solvent-Driven Equilibria between a- and 310-Helices through an Integrated Spin Labeling and Computational Approach
2007 S., Carlotto; P., Cimino; M., Zerbetto; L., Franco; C., Corvaja; M., Crisma; F., Formaggio; C., Toniolo; A., Polimeno; Barone, Vincenzo
Unraveling the internal conversion process within the Q-bands of a chlorophyll-like-system through surface-hopping molecular dynamics simulations
2021 Fortino, M.; Collini, E.; Bloino, J.; Pedone, A.
Unraveling the interplay of different contributions to the stability of the quinhydrone dimer
2014 Barone, Vincenzo; I., Cacelli; O., Crescenzi; M., D'Ischia; A., Ferretti; G., Prampolini; G., Villani; D'Ischia, Marco
Unraveling the peculiar modus operandi of a new class of solvatochromic fluorescent molecular rotors by spectroscopic and quantum mechanical methods
2013 Matthias, Koenig; Giovanni, Bottari; Brancato, Giuseppe; Barone, Vincenzo; Dirk M., Guldi; Tomás, Torres
Unraveling the role of additional OH-radicals in the H–Abstraction from Dimethyl sulfide using quantum chemical computations
2020 Salta, Zoi; Lupi, Jacopo; Tasinato, Nicola; Barone, Vincenzo; Ventura, Oscar N.
Unraveling the role of entropy in tuning unimolecular vs. bimolecular reaction rates: The case of olefin polymerization catalyzed by transition metals
2018 Falivene, Laura; Barone, Vincenzo; Talarico, Giovanni
Unraveling the Role of Stereo-electronic, Dynamical, and Environmental Effects in Tuning the Structure and Magnetic Properties of Glycine Radical in Aqueous Solution at Different pH Values
2007 Brancato, Giuseppe; Rega, N; Barone, Vincenzo
Unravelling eumelanin structure
2009 D’Ischia, M.; Pezzella, A.; Panzella, L.; Napolitano, A.
Unsupervised search of low-lying conformers with spectroscopic accuracy: A two-step algorithm rooted into the island model evolutionary algorithm
2020 Mancini, G.; Fuse', M.; Lazzari, F.; Chandramouli, B.; Barone, V.
Unusual binary aggregates of perylene bisimide revealed by their electronic transitions in helium nanodroplets and DFT calculations
2021 Izadnia, S.; Laforge, A. C.; Stienkemeier, F.; Cheeseman, J. R.; Bloino, J.; Cheramy, J.; Jager, W.; Xu, Y.
Unveiling Bifunctional Hydrogen Bonding with the Help of Quantum Chemistry: The Imidazole-Water Adduct as Test Case
2021 Melli, Alessio; Barone, Vincenzo; Puzzarini, Cristina
Unveiling the non-covalent interactions of molecular homodimers by dispersion-corrected DFT calculations and collision-induced broadening of ro-vibrational transitions: application to (CH2F2)2and (SO2)2
2015 Tasinato, Nicola; Grimme, Stefan
Unveiling the Sulfur-Sulfur Bridge: Accurate Structural and Energetic Characterization of a Homochalcogen Intermolecular Bond
2018 Obenchain, Daniel A.; Spada, Lorenzo; Alessandrini, Silvia; Rampino, Sergio; Herbers, Sven; Tasinato, Nicola; Mendolicchio, Marco; Kraus, Peter; Gauss, Jürgen; Puzzarini, Cristina; Grabow, Jens-Uwe; Barone, Vincenzo
Uracil anion radical in aqueous solution: Thermodynamics versus Spectroscopy
2010 Brancato, Giuseppe; Rega, N; Barone, Vincenzo
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