Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
New developments in the polarisable continuum model for quantum mechanical and classical calculations on molecules in solution.
2002 Cossi, M.; Scalmani, G.; Rega, N.; Barone, Vincenzo
New developments of a multifrequency virtual spectrometer: stereo-electronic, dynamical, and environmental effects on chiroptical spectra
2014 Barone, Vincenzo; Baiardi, Alberto; Bloino, Julien
New fluorescent tools for the development of advanced vapochromic films based on thermoplastic polymers
2017 Ahmad, Muzaffer
A new Gaussian MCTDH program: implementation and validation on the levels of the water and glycine molecules
2014 Skouteris, Dimitrios; Barone, Vincenzo
New hints on the pH driven tautomeric equilibria of the topotecan anti-cancer drug in aqueous solutions from an integrated spectroscopic and quantum-mechanical approach
2005 N., Sanna; G., Chillemi; A., Grandi; S., Castelli; A., Desideri; Barone, Vincenzo
New insight into the oxidative chemistry of noradrenaline: competitive o-quinone cyclisation and chain fission routes leading to an unusual 4-[bis-(1H-5,6-dihydroxyindol-2-yl)methyl]-1,2-dihydroxybenzene derivative
2005 Manini, Paola; Pezzella, Alessandro; Panzella, Lucia; Napolitano, Alessandra; D'Ischia, Marco
New Insights into the Acid-Promoted Reaction of Caffeic Acid and Its Esters with Nitrite: Decarboxylation Drives Chain Nitrosation Pathways toward Novel Oxime Derivatives and Oxidation/Fragmentation Products Thereof
2002 A., Napolitano; D'Ischia, M.
New insights into the vibrational and optical signatures of trans-stilbene via integrated experimental and quantum mechanical approaches
2016 Massuyeau, Florian; Faulques, Eric; Latouche, Camille; Barone, Vincenzo
New integrated numerical approaches to the Smoluchowski equation for the interpretation of molecular properties in solution phase chemistry
2018 Piserchia, Andrea
New intermediates in the oxidative polymerization of 5,6-dihydroxyindole to melanin promoted by the peroxidase/H2O2 system
1990 D'Ischia, M.; Napolitano, A.; Tsiakas, K.; Prota., G.
A new intramolecular biosensor reveals Tau conformational changes in pathological conditions
2015 Quercioli, Valentina; Siano, Giacomo; Rovere, Matteo; Viegi, Alessandro; Cattaneo, Antonino; DI PRIMIO, Cristina
A new look at the rearrangement of adrenochrome under biomimetic conditions
1989 Palumbo, A.; D'Ischia, M.; Misuraca, G.; Prota, G.
New prebiotic molecules in the interstellar medium from the reaction between vinyl alcohol and CN radicals: unsupervised reaction mechanism discovery, accurate electronic structure calculations and kinetic simulations
2023 Ballotta, Bernardo; Martínez-Núñez, Emilio; Rampino, Sergio; Barone, Vincenzo
New pyridobenzothiazine dimers from zinc catalyzed oxidation of 5-S-cysteinyldopa
2009 Greco, G.; Panzella, L.; Napolitano, A.; D’Ischia, M.
New pyrrole acids by oxidative degradation of eumelanins with hydrogen peroxide. Further hints to the mechanism of pigment breakdown
1996 Napolitano, A.; Pezzella, A.; D'Ischia, M.; Prota, G.
New quantum chemical computations of formamide deuteration support a gas-phase formation of this prebiotic molecule
2017 Skouteris, D.; Vazart, F.; Ceccarelli, C.; Balucani, N.; Puzzarini, C.; Barone, V.
NEW QUANTUM MECHANICAL STRATEGIES FOR THE STUDY OF LARGE FREE RADICALS IN CONDENSED PHASES
2004 Barone, Vincenzo
New Quantum Mechanical Strategies for the study of Nitroxide Radicals in Condensed Phases
2005 Barone, Vincenzo; P., Cimino
New sp3 diphosphine-based rhodium catalysts for the asymmetric conjugate addition of aryl boronic acids to 3-azaarylpropenones
2021 Facchetti, G.; Fuse', M.; Pecoraro, T.; Nava, D.; Rimoldi, I.
New visualization tools for sciences and humanities: databases and virtual reality
2018 Baldini, Jacopo
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