Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
General perturbative approach for spectroscopy, thermodynamics and kinetics: methodological background and benchmark studies
2012 Bloino, J.; M., Biczysko; Barone, Vincenzo
A General Route to Include Pauli Repulsion and Quantum Dispersion Effects in QM/MM Approaches
2017 Giovannini, Tommaso; Lafiosca, Piero; Cappelli, Chiara
General strategy for computing nonlinear optical properties of large neutral and cationic organic chromophores in solution
2015 Benassi, Enrico; Egidi, Franco; Barone, Vincenzo
General Time Dependent Approach to Vibronic Spectroscopy Including Franck–Condon, Herzberg–Teller, and Duschinsky Effects
2013 Baiardi, Alberto; Bloino, JULIEN ROLAND MICHEL; Barone, Vincenzo
GENERAL TRENDS IN THE MOLECULAR PHYSICS OF AZABIPHENYLS - A QUANTUM CHEMICAL AND PHOTOELECTRON SPECTROSCOPIC STUDY
1983 Barone, Vincenzo; Lelj, F; Cauletti, C; Piancastelli, Mn; Russo, N.
A general user-friendly tool for kinetic calculations of multi-step reactions within the virtual multifrequency spectrometer project
2020 Nandi, S.; Ballotta, B.; Rampino, S.; Barone, V.
Generalized vibrational perturbation theory for rotovibrational energies of linear, symmetric and asymmetric tops: Theory, approximations, and automated approaches to deal with medium-to-large molecular systems
2015 Piccardo, M.; Bloino, J.; Barone, V.
Genome assembly and transcriptome resource for river buffalo, Bubalus bubalis (2n = 50)
2017 Williams, John L; Iamartino, Daniela; Pruitt, Kim D; Sonstegard, Tad; Smith, Timothy P L; Low, Wai Yee; Biagini, Tommaso; Bomba, Lorenzo; Capomaccio, Stefano; Castiglioni, Bianca; Coletta, Angelo; Corrado, Federica; Ferré, Fabrizio; Iannuzzi, Leopoldo; Lawley, Cynthia; Macciotta, Nicolò; Mcclure, Matthew; Mancini, Giordano; Matassino, Donato; Mazza, Raffaele; Milanesi, Marco; Moioli, Bianca; Morandi, Nicola; Ramunno, Luigi; Peretti, Vincenzo; Pilla, Fabio; Ramelli, Paola; Schroeder, Steven; Strozzi, Francesco; Thibaud-Nissen, Francoise; Zicarelli, Luigi; Ajmone-Marsan, Paolo; Valentini, Alessio; Chillemi, Giovanni; Zimin, Aleksey
GEOMETRICAL RELAXATION OF MODEL METALLIC CLUSTERS
1977 A., Julg; G., DEL RE; M., Bourg; Barone, Vincenzo
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.
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