Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
A never-ending story in the sky: The secrets of chemical evolution
2019 Puzzarini, C.; Barone, V.
New and Efficient Implementation of CC3
2021 Paul, Alexander C.; Myhre, Rolf H.; Koch, Henrik
New atomistic model of pyrrole with improved liquid state properties and structure
2018 Macchiagodena, Marina; Mancini, Giordano; Pagliai, Marco; Cardini, Gianni; Barone, Vincenzo
A new bottom up approach to the CMMST-VRE
2015 Laganà, Antonio; Manuali, Carlo; Pacifici, Leonardo; Rampino, Sergio; Costantini, Alessandro
New chiral ionic liquids for surface polymerization processes
2014 Chiappe, C; Ghilardi, T; C P, Pomelli; Bellina, F; Iuliano, A; Manini, P; D’Ischia, M
New computational strategies for the quantum mechanical study of biological systems in condesed phases
2001 Adamo, C.; Cossi, M.; Rega, N.; Barone, Vincenzo
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.
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