Sfoglia per Chimica e Geologia
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
2023 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
Modeling solid‑state reaction processes : application for the archaeometric study of potteries from Venus Fisica Temple in Pompeii (Italy)
2024 Di Turo, Francesca; De Vito, Caterina; Coletti, Fulvio; Domenech-Carbò, Antonio
Modeling Solvent Effects on Chiroptical Properties
2011 Mennucci, B; Cappelli, Chiara; Cammi, R; Tomasi, J.
Modeling transport properties of molecular devices by a novel computational approach
2014 Visciarelli, Michele
Modeling UV/Vis Absorption Spectra of Food Colorants in Solution : Anthocyanins and Curcumin as Case Studies
2024 Gómez, Sara; Lafiosca, Piero; Giovannini, Tommaso
Modeling vibrational coupling in DNA oligomers: a computational strategy combining QM and continuum solvation models
2012 A., Biancardi; R., Cammi; Cappelli, Chiara; B., Mennucci; J., Tomasi
Modeling, preparation and characterization of new fluorophores for smart polymer composite films
2012 Pucci, A.; Bellina, F.; Lessi, M.; Carta, L.; Cappelli, Chiara; Prampolini, G.; Barone, Vincenzo
Modelling polymerization reaction at aluminum based catalysts: is DFT a reliable computational tool
2001 Talarico, G.; Barone, Vincenzo; Budzelaar, P. H. M.; Adamo, C.
Modelling the anharmonic and Coriolis resonances within the six level polyad involving the ν4 fundamental in the ro-vibrational spectrum of vinyl fluoride
2012 Tasinato, Nicola; Stoppa, Paolo; Pietropolli Charmet, Andrea; Giorgianni, Santi; Gambi, Alberto
Modelling the Solvation of Peptides. The case of (s)-N-Acetylproline Amide in Liquid Water
2008 Cappelli, Chiara; Mennucci, B.
Modelling Weak Interactions in the Gas Phase: From Rotational Spectroscopy to Reaction Rates Using Accurate Quantum-Chemical Approaches
2022 Alessandrini, Silvia
Models of Aged Magnesium–Silicate–Hydrate Cements Based on the Lizardite and Talc Crystals: A Periodic DFT-GIPAW Investigation
2017 Pedone, Alfonso; Palazzetti, Federico; Barone, Vincenzo
A Modern-Fortran Program for Chemical Kinetics on Top of Anharmonic Vibrational Calculations
2019 Nandi, Surajit; Calderini, D.; Bloino, J.; Rampino, S.; Barone, V.
Modification and photostabilization of low density polyethylene film by photodecomposition of various diazo-compounds and methyl azidocarboxylate
2007 J., Mosnacek; M., Bertoldo; C., Kosa; Cappelli, Chiara; G., Ruggeri; I., Lukac; F., Ciardelli
Modified virtual orbitals for CI calculations of energy splitting in organic diradicals
2009 Barone, Vincenzo; I., Cacelli; A., Ferretti; G., Prampolini
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