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Mostrati risultati da 21 a 40 di 1.931
Titolo Data di pubblicazione Autori Tipo File
8-hydroxyquinoline-2-carboxylic acid as possible molybdophore: A multi-technique approach to define its chemical speciation, coordination and sequestering ability in aqueous solution 2020 Brancato G.Lando G. + 1.1 Articolo in rivista
A calcium-dependent nitric oxide synthase and NMDA R1 glutamate receptor in the ink gland of Sepia officinalis: a hint to a regulatory role of nitric oxide in melanogenesis? 1997 M. D'ISCHIA + 1.1 Articolo in rivista
A calcium-dependent nitric oxide synthase in a brain region innervating the ink producing system of Sepia officinalis 1998 D'ISCHIA, MARCO + 4.1 Contributo in Atti di convegno
A calcium/calmodulin dependent nitric oxide synthase, NMDAR2/3 receptor subunits and glutamate in the CNS of the cuttlefish Sepia officinalis: Localization in specific neural patterns controlling the inking system 1999 M. D'ISCHIA + 1.1 Articolo in rivista
A Classical Picture of Subnanometer Junctions: an Atomistic Drude Approach to Nanoplasmonics 2019 Giovannini, TommasoCORNI, StefanoCappelli, Chiara + 1.1 Articolo in rivista
A combination of a hybrid QM/MM method for large molecules with the continuum solvation method. 1997 BARONE, Vincenzo + 1.1 Articolo in rivista
A combined theoretical and experimental approach to determining order parameters of solutes in liquid crystals from 13C NMR data 2005 BARONE, Vincenzo + 1.1 Articolo in rivista
A Comparison of the Isotope Effect for the N + N2 Reaction Calculated on Two Potential Energy Surfaces 2008 Rampino, Sergio + 2.1 Contributo in volume (Capitolo o Saggio)
A COMPUTATIONAL PROTOCOL TO PROBE THE ROLE OF ELECTROSTATIC AND SOLVATION EFFECTS ON THE REDUCTION POTENZIAL OF AZURIN MUTANTS 2004 BARONE, Vincenzo + 4.1 Contributo in Atti di convegno
A computational protocol to probe the role of solvation effects on the reduction potential of azurine mutants 2006 BARONE, Vincenzo + 1.1 Articolo in rivista
A convenient access to dihydroxybenzenethiols via reduction of iso-thiouronium salts with sodium borohydride 1994 d'Ischia M. + 1.1 Articolo in rivista
A critical analysis of the structure and vibrational frequencies of F2NO+ and Cl2NO+ from accurate quantum chemical computations 2008 BARONE, Vincenzo + 1.1 Articolo in rivista
A density functional study of thorium tetrahalides 2000 BARONE, Vincenzo + 1.1 Articolo in rivista
A direct procedure for the evaluation of solvent effects in MC-SCF calculations 1999 BARONE, Vincenzo + 1.1 Articolo in rivista
A discrete/continuum QM/MM MD study of the triplet state of acetone in aqueous solution 2008 BRANCATO, GiuseppeBARONE, Vincenzo + 1.1 Articolo in rivista
A facile synthesis of 2-oxo-thiazolidines of biological interest 1987 M. D'ISCHIA + 1.1 Articolo in rivista
A first-principle study of the adsorption of 1-amino-3-cyclopentene on the (100) silicon surface 2005 BARONE, Vincenzo + 1.1 Articolo in rivista
A fully automated implementation of VPT2 infrared intensities 2010 BARONE, VincenzoJ. Bloino + 1.1 Articolo in rivista
A gauge invariant multiscale approach to magnetic spectroscopies in condensed phase: General three-layer model, computational implementation and pilot applications 2013 BARONE, VincenzoChiara Cappelli + 1.1 Articolo in rivista
A general time-dependent route to Resonance-Raman spectroscopy including Franck-Condon, Herzberg-Teller and Duschinsky effects 2014 Baiardi A.Bloino J.Barone V. 1.1 Articolo in rivista
Mostrati risultati da 21 a 40 di 1.931
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