Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
The shape of trifluoromethoxybenzene
2014 Kang, Lu; Novick, Stewart E.; Gou, Qian; Spada, Lorenzo; Vallejo-López, Montserrat; Caminati, Walther
Signatures of selection in five Italian cattle breeds detected by a 54K SNP panel
2014 Mancini, Giordano; Gargani, Maria; Chillemi, Giovanni; Nicolazzi, Ezequiel Luis; Marsan, Paolo Ajmone; Valentini, Alessio; Pariset, Lorraine
Silicon Nanocrystal Functionalization: Analytic Fitting of DFTB Parameters
2011 F., Trani; Barone, Vincenzo
Silver-nanoparticles as plasmon-resonant enhancers for eumelanin's photoacoustic signal in a self-structured hybrid nanoprobe
2019 Silvestri, Brigida; Armanetti, Paolo; Sanita, Gennaro; Vitiello, Giuseppe; Lamberti, Annalisa; Cali, Gaetano; Pezzella, Alessandro; Luciani, Giuseppina; Menichetti, Luca; Luin, Stefano; D'Ischia, Marco
Simple 1,3-diamines and their application as ligands in ruthenium(II) catalysts for asymmetric transfer hydrogenation of aryl ketones
2015 Facchetti, Giorgio; Gandolfi, Raffaella; Fusè, Marco; Zerla, Daniele; Cesarotti, Edoardo; Pellizzoni, Michela; Rimoldi, Isabella
Simulating Absorption Spectra of Flavonoids in Aqueous Solution: A Polarizable QM/MM Study
2020 Skoko, Sulejman; Ambrosetti, Matteo; Giovannini, Tommaso; Cappelli, Chiara
Simulating DNA Hybridization on an Amine Functionalized Silicon Substrate
2010 S., Monti; I., Cacelli; A., Ferretti; G., Prampolini; Barone, Vincenzo
Simulating vertical excitation energies of solvated dyes: From continuum to polarizable discrete modeling
2019 Giovannini, Tommaso; Macchiagodena, Marina; Ambrosetti, Matteo; Puglisi, Alessandra; Lafiosca, Piero; Lo Gerfo, Giulia; Egidi, Franco; Cappelli, Chiara
Simulating weak-field attosecond processes with a Lanczos reduced basis approach to time-dependent equation-of-motion coupled-cluster theory
2022 Skeidsvoll, Andreas S.; Moitra, Torsha; Balbi, Alice; Paul, Alexander C.; Coriani, Sonia; Koch, Henrik
Simulation of electron spin resonance spectroscopy in diverse environments: an integrated approach
2009 M., Zerbetto; A., Polimeno; Barone, Vincenzo
Simulation of theoretical IR spectra for complex molecular systems from vibrational perturbative approaches: glycine as a test case
2012 Biczysko, M; Bloino, J.; Carnimeo, I.; Panek, P.; Barone, Vincenzo
Simulation of Vacuum UV Absorption and Electronic Circular Dichroism Spectra of Methyl Oxirane: The Role of Vibrational Effects
2016 Hodecker, Manuel; Biczysko, MALGORZATA AGNIESZKA; Drew, A.; Barone, Vincenzo
Simulation of Vibronic Spectra of Flexible Systems: Hybrid DVR-Harmonic Approaches
2017 Baiardi, Alberto; Bloino, Julien; Barone, Vincenzo
Singlet Excited-State Behavior of Uracil and Thymine in Aqueous Solution: A Combined Experimental and Computational Study of 11 Uracil Derivatives
2006 Gustavsson, T; Banyasz, A; Lazzarotto, E; Markovitsi, D; Scalmani, G; Frisch, M. J.; Barone, Vincenzo; Improta, R.
Singlet–triplet energy gap of a diarylnitroxide diradical by an accurate many-body perturbative approach
2011 Barone, Vincenzo; I., Cacelli; A., Ferretti; S., Monti; G., Prampolini
Sintesi e reattivitá di acidi nitrolinoleici, una nuova classe di mediatori fisiologici
2008 Capelli, L.; Manini, Paola; Arzillo, M.; Crescenzi, Orlando; Napolitano, Alessandra; Barone, Vincenzo; D'Ischia, Marco
Size-intensive decomposition of orbital energy denominators
2000 Koch, Henrik; Sánchez De Merás, Alfredo
Skin depigmentation by hydroquinone: a chemical and biochemical insight
1992 Palumbo, A.; D'Ischia, M.; Misuraca, G.; Prota, G.
Small-molecule transport by CarO, an abundant eight-stranded β-barrel outer membrane protein from Acinetobacter baumannii
2015 Zahn, Michael; D'Agostino, Tommaso; Eren, Elif; Baslé, Arnaud; Ceccarelli, Matteo; Van Berg, Bert Den
The Smart Cyberinfrastructure: Space-Time Multiscale Approaches for Research and Technology
2016 Licari, Daniele; Mancini, Giordano; Brogni, Andrea; Salvadori, Andrea; Barone, Vincenzo
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