Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
Understanding the Accelerating Effect of - Caprolactam on the Formation of Urethane Linkages
2004 M., Bertoldo; Cappelli, Chiara; S., Catanorchi; V., Liuzzo; S., Bronco
Understanding the interplay between the solvent and nuclear rearrangements in the negative solvatochromism of a push-pull flexible quinolinium cation
2017 Cannelli, Oliviero; Giovannini, Tommaso; Baiardi, Alberto; Carlotti, Benedetta; Elisei, Fausto; Cappelli, Chiara
Understanding the photophysical properties of coumarin-based Pluronic–silica (PluS) nanoparticles by means of time-resolved emission spectroscopy and accurate TDDFT/stochastic calculations
2013 Alfonso, Pedone; Elisa, Gambuzzi; Barone, Vincenzo; Sara, Bonacchi; Damiano, Genovese; Enrico, Rampazzo; Luca, Prodi; Marco, Montalti
Understanding the role of dynamics in the iron sulfur cluster molecular machine
2017 DI MAIO, Danilo; Chandramouli, Balasubramanian; Yan, Robert; Brancato, Giuseppe; Pastore, Annalisa
Understanding the role of stereoelectronic effects in determining collagen stability. 1. A quantum mechanical study of proline, hydroxyproline, and fluoroproline dipeptide analogues in aqueous solution
2001 Improta, R.; Benzi, C.; Barone, Vincenzo
Understanding the role of stereoelectronic effects in determining collagen stability. 2. A quantum mechanical / molecular mechanical study of (Proline-Proline-Glycine)n polypeptides
2002 Improta, R.; Mele, F.; Crescenzi, O.; Benzi, C.; Barone, Vincenzo
Understanding the Structural and Binding Properties of Collagen: a Theoretical Perspective
2004 Bronco, S; Cappelli, Chiara; Monti, S.
Understanding the working mechanism of natural and engineered proteins for cell regulation and biotechnological applications: a molecular dynamics study
2016 Di Maio, Danilo
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
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