Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
Density-functional-theory study of the electric-field-induced second harmonic generation (EFISHG) of pushpull phenylpolyenes in solution
2006 L., Ferrighi; L., Frediani; Cappelli, Chiara; P., Salek; H., Agren; T., Helgaker; K., Ruud
Deposition of aminomalononitrile-based films: Kinetics, chemistry, and morphology
2019 Toh, R. J.; Evans, R.; Thissen, H.; Voelcker, N. H.; D'Ischia, M.; Ball, V.
Design and development of a cross-platform molecular viewer for Immersive Virtual Reality systems
2017 Salvadori, Andrea
Design, synthesis and characterization of the first water soluble 5,6-dihydroxyindole polymer as a tool to disentangle eumelanin “chromophore”
2009 Pezzella, Alessandro; Iadonisi, Alfonso; S., Valerio; Panzella, Lucia; Napolitano, Alessandra; Adinolfi, Matteo; D'Ischia, Marco
Designing Natural Gesture Interaction for Archaeological Data in Immersive Environments - Diseño de interacción de gestos naturales para datos arqueológicos en entornos de inmersión
2017 Albertini, Niccolò; Brogni, Andrea; Olivito, Riccardo; Taccola, Emanuele; Caramiaux, Baptiste; Gillies, Marco
A detailed comparison of centrifugal sudden and J-shift estimates of the reactive properties of the N + N-2 reaction
2009 Garcia, Ernesto; Sanchez, Carlos; Saracibar, Amaia; Laganà, Antonio; Skouteris, Dimitrios
Determination of the transition dipole moment μi→b(R) in H2 from the measurement of vibrational wave functions
1990 Schins, Juleon M.; Siebbeles, Laurens D. A.; Los, Joop; Kristensen, Martin; Koch, Henrik
Determination of the vinyl fluoride line intensities by TDL spectroscopy: the object oriented approach of Visual Line Shape Fitting Program to line profile analysis
2010 Tasinato, Nicola; Pietropolli Charmet, Andrea; Stoppa, Paolo; Giorgianni, Santi
DEVELOPMENT AND APPLICATION OF COMPUTATIONAL METHODOLOGIES TO INVESTIGATE ELECTRONIC PROPERTIES OF LARGE SIZE AND PERIODIC SYSTEMS
2004 Barone, Vincenzo
Development and Implementation of Advanced Fitting Methods for the Calculation of Accurate Molecular Structures
2017 Mendolicchio, Marco; Penocchio, Emanuele; Licari, Daniele; Tasinato, Nicola; Barone, Vincenzo
Development and implementation of theoretical models for the prediction of molecular structures and vibrational spectra
2021 Mendolicchio, Marco
Development and Validation of a Parameter-Free Model Chemistry for the Computation of Reliable Reaction Rates
2021 Barone, V.; Lupi, J.; Salta, Z.; Tasinato, N.
Development and Validation of an Integrated Computational Approach for the Modeling of cw-ESR Spectra of Free Radicals in Solution: p-(Methylthio)phenyl Nitronylnitroxide in Toluene as a Case Study
2006 Barone, Vincenzo; M., Brustolon; P., Cimino; A., Polimeno; M., Zerbetto; A., Zoleo
Development and validation of an integrated computational approach for the study of ionic species in solution by means of effective two-body potentials. The case of Zn2+, Ni2+, and Co2+ in aqueous solution
2002 Chillemi, G; D'Angelo, P; Pavel, N. V.; Sanna, N; Barone, Vincenzo
Development and validation of effective computational strategies for the study of metal-nitroxide systems
1999 DI MATTEO, A.; Barone, Vincenzo
Development and validation of force-field parameters for molecular simulations of peptides and proteins containing open-shell residues
1997 Barone, Vincenzo; Capecchi, G; Brunel, Y.
Development and validation of reliable quantum mechanical approaches for the study of free radicals in solution
1996 Rega, N; Cossi, M; Barone, Vincenzo
Development and Validation of the B3LYP/N07D Computational Model for Structural Parameter and Magnetic Tensors of Large Free Radicals
2008 Barone, Vincenzo; P., Cimino; E., Stendardo
Development of a Virtual Spectrometer for Chiroptical Spectroscopies: The Case of Nicotine
2013 Egidi, Franco; Bloino, J.; Cappelli, Chiara; Barone, Vincenzo
Development of computational strategies to simulate structures, reactivity and spectroscopic features of molecules at the interstellar ice interface
2023 Baiano, Carmen
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