Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
Methyl Phosphate Dianion Hydrolysis in Solution Characterized by Path Collective Variables Coupled with DFT-Based Enhanced Sampling Simulations
2011 D., Branduardi; M., De Vivo; N., Rega; Barone, Vincenzo; A., Cavalli
Metodi Quantomeccanici e Chimica di Ioni in Fase Gassosa
1982 F., Lelj; Barone, Vincenzo
Micellar aggregation of sulfonate surfactants studied by electron spin resonance of a cationic nitroxide: an experimental and computational approach
2002 Tedeschi, A. M.; D'Errico, G.; Busi, E.; Basosi, R.; Barone, Vincenzo
Microscopic Branching Processes: The O + O-2 Reaction and Its Relaxed Potential Representations
2010 Rampino, Sergio; Skouteris, Dimitris; Laganà, Antonio
Microscopic Modeling of Spectroscopic and Reactive Processes in Complex Systems: a Hopeless Challenge?
2005 Barone, Vincenzo
Microsolvation of the Zn(II) ion in aqueous solution: A hybrid QM/MM MD approach using non-periodic boundary conditions
2008 Brancato, Giuseppe; N., Rega; Barone, Vincenzo
Microsolvation of uracil anion radical in aqueous solution: a QM/MM study
2010 Brancato, Giuseppe; Rega, N; Barone, Vincenzo
Microwave, high-resolution infrared, and quantum chemical investigations of CHBrF2: ground and v4 = 1 states
2011 Cazzoli, Gabriele; Cludi, Lino; Puzzarini, Cristina; Stoppa, Paolo; Pietropolli Charmet, Andrea; Tasinato, Nicola; Baldacci, Agostino; Baldan, Alessandro; Giorgianni, Santi; Wugt Larsen, René; Stopkowicz, Stella; Gauss, Jürgen
Mid-IR and CH stretching vibrational circular dichroism spectroscopy to distinguish various sources of chirality: The case of quinophaneoxazoline based ruthenium(II) complexes
2024 Fusè, Marco; Mazzeo, Giuseppe; Abbate, Sergio; Ruzziconi, Renzo; Bloino, JULIEN ROLAND MICHEL; Longhi, Giovanna
Mild and efficient iodination of aromatic and heterocyclic compounds with the NaClO2/NaI/HCl system
2008 Lista, L.; Pezzella, Alessandro; Napolitano, Alessandra; D'Ischia, Marco
Mitochondrial dysfunction in some oxidative stress-related genetic diseases: Ataxia-Telangiectasia, Down Syndrome, Fanconi Anaemia and Werner Syndrome
2010 Pallardo, F. V.; Lloret, A.; Lebel, M.; D'Ischia, M.; Cogger, V. C.; Couteur, D. G.; Gadaleta, M. N.; Castello, G.; Pagano, G.
Mixed quantum/classical approach to surface-enhanced spectroscopies
2023 Giovannini, Tommaso; Cappelli, Chiara
MODEL CLUSTERS AND ELECTRONIC CHARACTERISTICS OF DEEP-LEVEL IMPURITIES IN SILICON
1988 Russo, N; Toscano, M; Barone, Vincenzo; Minichino, C.
MODEL HAMILTONIANS IN THE STUDY OF CHEMISORPTION AND CATALYSIS
1985 Abbate, G; Barone, Vincenzo; Lelj, F; Iaconis, E; Russo, N.
Modeling amino-acid side chain infrared spectra: The case of carboxylic residues
2020 VIEIRA PINTO, Sandra Mónica; Tasinato, Nicola; Barone, Vincenzo; Amadei, Andrea; Zanetti-Polzi, Laura; Daidone, Isabella
Modeling and application of a a coarse-grained force field for surfactants and polymeric membranes
2009 Elvati, Paolo
Modeling Drugs in Complex Environments: Solution, Cell Membranes, and DNA
2023 Gomez Maya, Sara Luz
Modeling Fungal Melanin Buildup: Biomimetic Polymerization of 1,8-Dihydroxynaphthalene Mapped by Mass Spectrometry
2017 Cecchini M., M.; Reale, S.; Manini, Paola; D'Ischia, Marco; De Angelis ., F.
Modeling nanoplasmonics from an atomistic point of view: from theory to applications
Bonatti, Luca
Modeling of InAs–InSb nanowires grown by Au-assisted chemical beam epitaxy
2012 Lugani, Lorenzo; Ercolani, Daniele; Sorba, Lucia; N. V., Sibirev; M. A., Timofeeva; V. G., Dubrovskii
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