Sfoglia per Chimica e Geologia
Oxidative stress biomarkers in four Bloom syndrome (BS) patients and in their parents suggest in vivo redox abnormalities in BS phenotype
2007 Zatterale, A.; Kelly, F. J.; Degan, P.; D'Ischia, Marco; Pallardo, F. V.; Calzone, R.; Dunster, C.; Lloret, A.; Manini, Paola; Cogulu, O.; Kavakli, K.; Pagano, G.
Oxygen adsorption on beta-quartz model surfaces: insights from density functional theory computations and semiclassical time-dependent dynamics
2012 Zazza, C.; M., Rutigliano; N., Sanna; Barone, Vincenzo
Oxygen Adsorption on β-Cristobalite Polymorph: Ab Initio Modeling and Semiclassical Time-Dependent Dynamics
2009 Rutigliano, M; Zazza, C; Sanna, N; Pieretti, A; Mancini, G; Barone, Vincenzo; Cacciatore, M.
Oxygen-dependent nitration of ethyl linoleate with nitric oxide
1996 D'Ischia, M.
p-Electron Manipulation of the 5,6-Dihydroxyindole/Quinone System by 3-Alkynylation: Mild 70 Acid-Mediated Entry to (Cross)-Conjugated Scaffolds and Paradigms for Medium-Tunable Chromophores
2011 L., Capelli; O., Crescenzi; P., Manini; A., Pezzella; Barone, Vincenzo; M., D’Ischia
Paradigms and paradoxes : systematics in the study of the simplest sulfenic acids and sulfoxides, and a comparison between sulfur–oxygen and nitrogen–oxygen bonds
2023 Salta, Zoi; Tasinato, Nicola; Ventura, Oscar Néstor; Liebman, Joel Fredric
Parameterization and validation of an accurate force-field for the simulation of alkyl-amine functionalized silicon (111) surfaces
2010 Barone, Vincenzo; I., Cacelli; A., Ferretti; S., Monti; G., Prampolini
Pathways and Barriers for Ion Translocation through the 5-HT3A Receptor Channel
2015 DI MAIO, Danilo; Chandramouli, Balasubramanian; Brancato, Giuseppe
PCILINDO: the PCILO Method at the INDO Level
1979 J., Douady; Barone, Vincenzo; Y., Ellinger; R., Subra
PCM/TD-DFT study of the two lowest excited states of uracil derivatives in solution: 3 The effect of the functional and of the cavity model
2009 R., Improta; Barone, Vincenzo
PECAN (CARYA ILLINOINENSIS) NUTSHELL AS AN EASILY ACCESSIBLE MATERIAL FOR FOOD APPLICATIONS
2017 Panzella, Lucia; Agustin-salazar, Sarai; Micillo, Raffaella; Cerruti, Pierfrancesco; Median-juarez Luis, Angel; Ambrogi, Veronica; Gamez Meza, Nohemi; D'Ischia, Marco; Napolitano, Alessandra
PEGylated Anionic Magnetofluorescent Nanoassemblies: Impact of Their Interface Structure on Magnetic Resonance Imaging Contrast and Cellular Uptake
2017 Linot, Camille; Poly, Julien; Boucard, Joanna; Pouliquen, Daniel; Nedellec, Steven; Hulin, Philippe; Marec, Nadège; Arosio, Paolo; Lascialfari, Alessandro; Guerrini, Andrea; Sangregorio, Claudio; Lecouvey, Marc; Lartigue, Lénaïc; Blanquart, Christophe; Ishow, Eléna
Performance of a new hybrid Hartree-Fock / Kohn-Sham model (B98) in predicting vibrational frequencies, polarisabilities and NMR chemical shifts
1999 Bienati, M.; Adamo, C.; Barone, Vincenzo
Performance of ab-initio and DFT PCM methods in calculating vibrational spectra in solution: formaldehyde in acetonitrile as a test case
2005 D., Begue; P., Carbonniere; Barone, Vincenzo; C., Pouchan
Performances of different density functionals in the computation of vibrational spectra beyond the harmonic approximation
2004 P., Carbonniere; Barone, Vincenzo
Periodic and High-Temperature Disordered Conformations of Polytetrafluoroethylene Chains: An ab Initio Modeling
2006 M., D'Amore; G., Talarico; Barone, Vincenzo
Periodic DFT modeling of bulk and surface properties of MgCl2
2009 R., Credendino; V., Busico; M., Causà; Barone, Vincenzo; P. H. M., Budzelaard; C., ZICOVICH WILSONE
Peroxidase as an alternative to tyrosinase in the oxidative polymerization of 5,6-dihydroxyindoles to melanin(s)
1991 D'Ischia, M.; Napolitano, A.; Prota., G.
Persulfate/copper(II): a mild and efficient oxidizing system for the conversion of dihydroxybenzenes to quinones
1994 Costantini, C.; D'Ischia, M.; Prota, G.
Perturb-Then-Diagonalize Vibrational Engine Exploiting Curvilinear Internal Coordinates
2022 Mendolicchio, M.; Bloino, J.; Barone, V.
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