Sfoglia per Chimica e Geologia
Fully Atomistic Modeling of Plasmonic Bimetallic Nanoparticles: Nanoalloys and Core-Shell Systems
2023 Nicoli, Luca; Lafiosca, Piero; Grobas Illobre, Pablo; Bonatti, Luca; Giovannini, Tommaso; Cappelli, Chiara
Fully Integrated Approach to Compute Vibrationally Resolved Optical Spectra: From Small Molecules to Macrosystems
2009 Barone, Vincenzo; Bloino, J.; Biczysko, M.; Santoro, F.
Fully Polarizable Multiconfigurational Self-Consistent Field/Fluctuating Charges Approach
2024 Sepali, Chiara; Goletto, Linda; Lafiosca, Piero; Rinaldi, Matteo; Giovannini, Tommaso; Cappelli, Chiara
Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions
2019 Di Remigio, Roberto; Giovannini, Tommaso; Ambrosetti, Matteo; Cappelli, Chiara; Frediani, Luca
Functional polymers by Nitroxide Radical Coupling (NRC) reaction
2017 Domenichelli, Ilaria
Fundamentals: general discussion
2016 Althorpe, Stuart C.; Beniwal, Vijay; Bolhuis, Peter G.; Brandão, João; Clary, David C.; Ellis, John; Fang, Wei; Glowacki, David R.; Hele, Timothy J. H.; Jónsson, Hannes; Kästner, Johannes; Makri, Nancy; Manolopoulos, David E.; Mckemmish, Laura K.; Menzl, Georg; Miller III, Thomas F.; Miller, William H.; Pollak, Eli; Rampino, Sergio; Richardson, Jeremy O.; Richter, Martin; Roy Chowdhury, Priyadarshi; Shalashilin, Dmitry; Tennyson, Jonathan; Welsch, Ralph
Funzionalizzazione di materiali melanici
2014 Mastropasqua Talamo, M; Ambrico, M; P F, Ambrico; Cardone, A; S R, Cicco; N F, Della Vecchia; Napolitano, A; Manini, P; D’Ischia, M; G M, Farinola
Furanosic forms of sugars: conformational equilibrium of methyl β-D-ribofuranoside
2016 Écija, Patricia; Uriarte, Iciar; Spada, Lorenzo; Davis, Benjamin G.; Caminati, Walther; Basterretxea, Francisco J.; Lesarri, Alberto; Cocinero, Emilio J.
Gas phase formation of the prebiotic molecule formamide: insights from new quantum computations
2015 Barone, Vincenzo; Latouche, Camille; Skouteris, Dimitrios; Vazart, Fanny; Balucani, Nadia; Ceccarelli, C.; Lefloch, B.
Gas-Phase Chemistry of Diphosphate Anions as a Tool To Investigate the Intrinsic Requirements of Phosphate Ester Enzymatic Reactions: The [M1M2HP2O7]- Ions
2007 F., Pepi; Barone, Vincenzo; P., Cimino; A., Ricci
Gas-phase formation and isomerization reactions of cyanoacetaldehyde, a prebiotic molecule of astrochemical interest
2021 Ballotta, Bernardo; Nandi, Surajit; Barone, Vincenzo; Rampino, Sergio
Gas-phase formation of Complex Organic Models molecules in interstellar medium: computational investigations
2017 Vazart, Fanny
Gas-phase identification of (Z)-1,2-ethenediol, a key prebiotic intermediate in the formose reaction
2022 Melosso, M.; Bizzocchi, L.; Gazzeh, H.; Tonolo, F.; Guillemin, J. -C.; Alessandrini, S.; Rivilla, V. M.; Dore, L.; Barone, V.; Puzzarini, C.
GAS-PHASE UNIMOLECULAR 1,1-HYDROGEN ELIMINATION - REACTION-MECHANISM AND ISOTOPE EFFECT
1984 Barone, Vincenzo; Bianchi, N; Lelj, F; Russo, N.
Gauge invariance of the coupled cluster oscillator strength
1998 Pedersen, Thomas Bondo; Koch, Henrik
Gauge invariant coupled cluster response theory
1999 Pedersen, Thomas Bondo; Koch, Henrik
Gauge invariant coupled cluster response theory using optimized nonorthogonal orbitals
2001 Pedersen, Thomas Bondo; Fernández, Berta; Koch, Henrik
Gauging and Tuning Cross-Linking Kinetics of Catechol-PEG Adhesives via Catecholamine Functionalization
2015 Paez, Julieta I.; Ustahüseyin, Oya; Serrano, Cristina; Ton, Xuan Anh; Shafiq, Zahid; Auernhammer, Günter K.; D'Ischia, Marco; Del Campo, Aránzazu
Gaussian grid: a computational chemistry experiment over a web service-oriented grid
2007 N., Sanna; T., Castrignano; P., D'ONORIO DE MEO; D., Carrabino; A., Grandi; G., Morelli; P., Caruso; Barone, Vincenzo
Gender- and age-related distinctions for the in vivo prooxidant state in Fanconi anaemia patients
2004 Pagano, G.; Degan, P.; D'Ischia, Marco; Kelly, F. J.; Pallardo, F. V.; Zatterale, A.; Anak, S. S.; Akisik, E. E.; Beneduce, G.; Calzone, R.; DE NICOLA, E.; Dunster, C.; Lloret, A.; Manini, Paola; Nobili, B.; Saviano, A.; Vuttariello, E.; Warnau, M.
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