Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
Geometries and Properties of Excited states in the Gas Phase and in Solution. Theory and Application of a Time-Dependent DFT Polarizable Continuum Model
2006 G., Scalmani; M. J., Frisch; B., Mennucci; J., Tomasi; R., Cammi; Barone, Vincenzo
Geometry Optimization of Molecular Structures in Solution by the Polarizable Continuum Model
1998 Barone, Vincenzo; M., Cossi; J., Tomasi
Gliding on Ice in search of accurate and cost-effective computational methods for Astrochemistry on Grains: the puzzling case of the HCN isomerization
2022 Baiano, C.; Lupi, J.; Barone, V.; Tasinato, N.
Glutathione levels in blood from ataxia telangiectasia patients suggest in vivo adaptive mechanisms to oxidative stress
2007 Degan, P; D'Ischia, Marco; Pallardo, F. V.; Zatterale, A; Brusco, A; Calzone, R; Cavalieri, S; Kavakli, K; Lloret, A; Manini, Paola; Pisanti, M. A.; Vuttariello, E; Pagano, G.
Glycosylated eumelanin building blocks by thioglycosylation of 5,6-diacetoxyindole with an expedient selenium-based dynamic-mixture methodology
2012 Adinolfi, M.; D'Ischia, Marco; Iadonisi, Alfonso; Leone, Loredana; Pezzella, Alessandro; Valerio, S.
Glyoxal formation by Fenton-induced degradation of carbohydrates and related compounds
2006 Manini, Paola; P., LA PIETRA; Panzella, Lucia; Napolitano, Alessandra; D'Ischia, Marco
Going Beyond the Limits of Classical Atomistic Modeling of Plasmonic Nanostructures
2021 Lafiosca, Piero; Giovannini, Tommaso; Benzi, Michele; Cappelli, Chiara
Gold nanoparticles as antiangiogenic and antimetastatic agents
2023 Zamborlin, Agata; Voliani, Valerio
Gold-superheavy-element interaction in diatomics and cluster adducts: A combined four-component Dirac-Kohn-Sham/charge-displacement study
2015 Rampino, Sergio; Storchi, Loriano; Belpassi, Leonardo
Graphene Plasmonics: Fully Atomistic Approach for Realistic Structures
2020 Giovannini, Tommaso; Bonatti, Luca; Polini, Marco; Cappelli, Chiara
Graphical Interfaces and Virtual Reality for Molecular Sciences
2014 Salvadori, A.; Licari, D.; Mancini, G.; Brogni, A.; De Mitri, N.; Barone, V.
Green Synthesis of magnetic nanostructures suitable as recoverable nanocatalysts and conductive nanomaterials
2016 Bertolucci, Elisa
GRID COMPUTING IN TIME-DEPENDENT QUANTUM REACTIVE DYNAMICS
2008 A., Saracibar; C., Sanchez; E., Garcia; A., Laganà; Skouteris, Dimitrios
A grid empowered virtual versus real experiment for the barrierless Li + FH → LiF + H reaction
2014 Laganà, Antonio; Rampino, Sergio
A Grid execution model for Computational Chemistry Applications using the GC3Pie framework and AppPot
2012 Costantini, Alessandro; Murri, Riccardo; Maffioletti, Sergio; Rampino, Sergio; Laganà, Antonio
GriF: A Grid framework for a Web Service approach to reactive scattering
2010 Manuali, Carlo; Laganà, Antonio; Rampino, Sergio
Ground state benzene-argon intermolecular potential energy surface
1999 Koch, Henrik; Fernández, Berta; Makarewicz, Jan
H-Abstraction from Dimethyl Sulfide in the Presence of an Excess of Hydroxyl Radicals. A Quantum Chemical Evaluation of Thermochemical and Kinetic Parameters Unveils an Alternative Pathway to Dimethyl Sulfoxide
2020 Salta, Z.; Lupi, J.; Barone, V.; Ventura, O. N.
Hadron therapy, magnetic nanoparticles and hyperthermia : a promising combined tool for pancreatic cancer treatment
2020 Brero, Francesca; Albino, Martin; Antoccia, Antonio; Arosio, Paolo; Avolio, Matteo; Berardinelli, Francesco; Bettega, Daniela; Calzolari, Paola; Ciocca, Mario; Corti, Maurizio; Facoetti, Angelica; Gallo, Salvatore; Groppi, Flavia; Guerrini, Andrea; Innocenti, Claudia; Lenardi, Cristina; Locarno, Silvia; Manenti, Simone; Marchesini, Renato; Mariani, Manuel; Orsini, Francesco; Pignoli, Emanuele; Sangregorio, Claudio; Veronese, Ivan; Lascialfari, Alessandro
Halogen Bonds between 2,2,6,6-Tetramethylpiperidine-N-oxyl Radical and CxHyFzI Species: DFT Calculations of Physicochemical Properties and Comparison with Hydrogen Bonded Adducts
2007 P., Cimino; M., Pavone; Barone, Vincenzo
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