Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
A ReaxFF force field for sodium intrusion in graphitic cathodes
2016 Hjertenæs, Eirik; Nguyen, Anh Quynh; Koch, Henrik
Reazioni di Pictet-Spengler della dopammina con prodotti del metabolismo dei carboidrati in condizioni biomimetiche: identificazione di derivati 6,7-diidrossitetraidroisochinolinici ed interazioni con cationi metallici di transizione
1998 Manini, P.; Dischia, M; Lanzetta, R; Parrilli, M; Prota, G
Recent advances in density functional methods, Part III
2002 Barone, Vincenzo; Bencini, A; Fantucci, P.
Recent Advances in the Description of Solvent Effects with the Polarizable Continuum Model
1998 Amovilli, C.; Barone, Vincenzo; Cammi, R.; Cances, E.; Cossi, M.; Mennucci, B.; Pomelli, C. S.; Tomasi, J.
Red Hair Benzothiazines and Benzothiazoles: Mutation-Inspired Chemistry in the Quest for Functionality
2013 Napolitano, Alessandra; Panzella, Lucia; Leone, Loredana; D'Ischia, Marco
Red Hair Photochemistry: Differential Behaviour of Structural Components to (Photo)degradation
2009 Napolitano, A.; Panzella, L.; Greco, G.; Wakamatsu, K.; Ito, S.; D'Ischia, M.
Red human hair pheomelanin is a potent pro-oxidant mediating UV-independent contributory mechanisms of melanomagenesis
2014 Panzella, Lucia; Leone, Loredana; Greco, G.; Vitiello, Giuseppe; D'Errico, Gerardino; Napolitano, Alessandra; D'Ischia, Marco
Red-Hair-Inspired Chromogenic System Based on a Proton-Switched Dehydrogenative Free-Radical Coupling
2013 Loredana, Leone; Orlando, Crescenzi; Riccardo, Amorati; Luca, Valgimigli; Alessandra, Napolitano; Barone, Vincenzo; Marco, D’Ischia; D'Ischia, Marco
Reduced scaling in electronic structure calculations using Cholesky decompositions
2003 Koch, Henrik; Sánchez De Merás, Alfredo; Pedersen, Thomas Bondo
Refinements on Solvation Continuum Models: Hydrogen-Bond Effects on the OH-Stretch in Liquid Water and Methanol
2000 Cappelli, Chiara; Mennucci, B.; DA SILVA, C. O.; Tomasi, J.
Regioselectivity and nucleophilic control in the cyclopropane ring opening of Duocarmycin SA derivatives under neutral and acid conditions: a quantum mechanical study in gas-phase and in solution
2004 P., Cimino; L., GOMEZ PALOMA; Barone, Vincenzo
Regioselectivity of Methyl Radical Addition to Fluoroethenes: a Quantum Mechanical Study
1998 R., Arnaud; V., Vetere; Barone, Vincenzo
Regulatory roles of nitric oxide during larval development and metamorphosis in Ciona intestinalis
2007 S, Comes; A, Locascio; F, Silvestre; D'Ischia, M.; Russo, G. L.; E, Tosti; M, Branno; A, Palumbo
Reinvestigation of the Deceptively Simple Reaction of Toluene with OH and the Fate of the Benzyl Radical: The "hidden" Routes to Cresols and Benzaldehyde
2020 Salta, Z.; Kosmas, A. M.; Segovia, M. E.; Kieninger, M.; Tasinato, N.; Barone, V.; Ventura, O. N.
A reinvestigation of the deceptively simple reaction of toluene with OH, and the fate of the benzyl radical : a combined thermodynamic and kinetic study on the competition between OH-addition and H-abstraction reactions
2020 Salta, Zoi; Kosmas, Agnie M.; Segovia, Marc E.; Kieninger, Martina; Ventura, Oscar N.; Barone, Vincenzo
Relative extended haplotype homozygosity signals across breeds reveal dairy and beef specific signatures of selection
2015 Bomba, Lorenzo; Nicolazzi, Ezequiel L; Milanesi, Marco; Negrini, Riccardo; Mancini, Giordano; Biscarini, Filippo; Stella, Alessandra; Valentini, Alessio; Ajmone Marsan, Paolo
RELATIVE ORDERING AND SPACING OF N-LEVEL AND PI-LEVEL IN ISOMERIC BIPYRIMIDINES - A THEORETICAL AND GAS-PHASE UV PHOTO-ELECTRON SPECTROSCOPIC STUDY
1982 Barone, Vincenzo; Cauletti, C; Lelj, F; Piancastelli, Mn; Russo, N.
Relativistic Two-Component Particle-Particle Tamm-Dancoff Approximation
2016 Williams-Young, David; Egidi, Franco; Li, Xiaosong
Reliable Gas Phase Reaction Rates at Affordable Cost by Means of the Parameter-Free JunChS-F12 Model Chemistry
2023 Barone, Vincenzo; Lupi, Jacopo; Salta, Zoi; Tasinato, Nicola
Reliable molecular simulations of solute-solvent systems with a minimum number of solvent shells
2006 Brancato, Giuseppe; N., Rega; Barone, Vincenzo
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