Sfoglia per Chimica e Geologia
VIBROROTATIONAL ANALYSIS OF SI2C FROM AN ABINITIO POTENTIAL-ENERGY SURFACE - A COMPARISON BETWEEN PERTURBATIVE AND VARIATIONAL-METHODS
1992 Barone, Vincenzo; Jensen, P; Minichino, C.
Virtual eyes for technology and cultural heritage: towards computational strategy for new and old indigo-based dyes
2015 Barone, Vincenzo; Biczysko, Malgorzata; Latouche, Camille; Pasti, Andrea
The virtual multifrequency spectrometer: a new paradigm for spectroscopy
2016 Barone, Vincenzo
Virtual Reality bridge between Chemistry and Cultural Heritage: the "Sala degli Stemmi" Case Study
2020 Martino, M; Lazzari, F; Tasinato, N; Barone, V
Virtual reality tools for advanced modeling
2019 Lupi, Jacopo; Martino, Marta; Salvadori, A.; Rampino, S.; Mancini, G.; Barone, V.
Vitamin C: an experimental and theoretical study on the gas-phase structure and ion energetics of protonated ascorbic acid
2016 Ricci, Andreina; Pepi, Federico; Cimino, Paola; Troiani, Anna; Garzoli, Stefania; Salvitti, Chiara; Di Rienzo, Brunella; Barone, Vincenzo
Vitiligo puzzle: the pieces fall in place
2007 W, Westerhof; D'Ischia, M.
VMS-ROT: A New Module of the Virtual Multifrequency Spectrometer for Simulation, Interpretation, and Fitting of Rotational Spectra
2017 Licari, Daniele; Tasinato, Nicola; Spada, Lorenzo; Puzzarini, Cristina; Barone, Vincenzo
Vowel variability and contrast in Childhood Apraxia of Speech: acoustics and articulation
2021 Lenoci, Giovanna; Celata, Chiara; Ricci, Irene; Chilosi, A.; Barone, Vincenzo
A VPT2 route to near-infrared spectroscopy: The role of mechanical and electrical anharmonicity
2015 Bloino, Julien
Water at Interfaces
2008 Andreussi, Oliviero
Water maintains the UV-vis spectral features during the insertion of anionic Naproxen and Ibuprofen into model cell membranes
2023 Rojas-Valencia, Natalia; Gómez, Sara; Giovannini, Tommaso; Cappelli, Chiara; Restrepo, Albeiro; Núñez Zarur, Francisco
Wavepacket calculations for the Cl + H2 reaction
2004 Skouteris, Dimitrios; A., Lagana'; G., Capecchi; H. J., Werner
Weak backbone CHâ¯OC and side chain tBuâ¯tBu London interactions help promote helix folding of achiral NtBu peptoids
2016 Angelici, G.; Bhattacharjee, N.; Roy, O.; Faure, S.; Didierjean, C.; Jouffret, L.; Jolibois, F.; Perrin, L.; Taillefumier, C.
Weak C–H⋯N and C–H⋯F hydrogen bonds and internal rotation in pyridine–CH3F
2014 Spada, Lorenzo; Gou, Qian; Vallejo-López, Montserrat; Lesarri, Alberto; Cocinero, Emilio J.; Caminati, Walther
Weak hydrogen bonds in adducts between freons: The rotational study of CH2F2–CH2ClF
2015 Spada, Lorenzo; Gou, Qian; Tang, Shouyuan; Caminati, Walther
Weak intramolecular interaction effects on the torsional spectra of ethylene glycol, an astrophysical species
2016 Boussessi, R.; Senent, M. L.; Jaïdane, N.
What are the spectroscopic properties of HFC-32? Answers from DFT
2014 Tasinato, Nicola
When Tautomers Matter: UV-Vis Absorption Spectra of Hypoxanthine in Aqueous Solution from Fully Atomistic Simulations
2024 Gomez, Sara; Cappelli, Chiara
X-ALPHA LOCAL SPIN-DENSITY CALCULATIONS OF THE 1-1 HYDROGEN-BONDED COMPLEXES FORMED BY WATER, AMMONIA, AND HYDROGEN-FLUORIDE
1990 Vauthier, Ec; Barone, Vincenzo; Minichino, C; Fliszar, S.
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