Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
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
Reliable NMR chemical shifts for molecules of biological interest in condensed phases by methods rooted in the density functional theory
2004 C., Benzi; O., Crescenzi; M., Pavone; Barone, Vincenzo
Reliable Structural, Thermodynamic, and Spectroscopic Properties of Organic Molecules Adsorbed on Silicon Surfaces from Computational Modeling: the Case of Glycine@Si(100)
2011 Carnimeo, I.; Biczysko, M.; Bloino, J.; Barone, Vincenzo
Reliable vibrational wavenumbers for C=O and N-H stretchings of isolated and hydrogen-bonded nucleic acid bases
2016 Fornaro, Teresa; Biczysko, MALGORZATA AGNIESZKA; Bloino, Julien; Barone, Vincenzo
Remarkable Chichibabin-type cyclotrimerisation of 3-nitrotyrosine, tyrosine and phenylalanine to 3,5-diphenylpyridine derivatives induced by hypochlorous acid
2005 Panzella, L.; DI DONATO, P.; Comes, S.; Napolitano, A.; Palumbo, A.; D'Ischia, M.
Replacing nitrogen by sulfur: from structurally disordered eumelanins to regioregular thiomelanin polymers
2017 Iacomino, Mariagrazia; Mancebo aracil, Juan; Guardingo, Mireia; Martín, Raquel; D'Errico, Gerardino; Perfetti, Marco; Manini, Paola; Crescenzi, Orlando; Busqué, Félix; Napolitano, Alessandra; D'Ischia, Marco; Sedó, Josep; Ruiz molina, Daniel
Representation of potential energy surfaces by discrete polynomials: proton transfer in malonaldehyde
2000 Aquilanti, V.; Capecchi, G.; Cavalli, S.; Adamo, C.; Barone, Vincenzo
Research note: Scf calculations of the nmr shielding tensor for the ethylenic carbon atom in C3Cl4
1995 Jaszuński, Michał; Helgaker, Trygve; Ruud, Kenneth; Jørgensen, Poul; Bak, Keld L.; Koch, Henrik
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