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Mostrati risultati da 1.870 a 1.889 di 1.952
Titolo Data di pubblicazione Autori Tipo File
Unlocking the Power of Resonance Raman Spectroscopy: the Case of Amides in Aqueous Solution 2021 Gómez, SaraEgidi, FrancoPuglisi, AlessandraGiovannini, TommasoCappelli, Chiara + 1.1 Articolo in rivista
Unraveling Solvent Effects on the Electronic Absorption Spectra of TRITC Fluorophore in Solution: a Theoretical TD-DFT/PCM Study 2010 BARONE, Vincenzo + 1.1 Articolo in rivista
Unraveling Solvent-Driven Equilibria between a- and 310-Helices through an Integrated Spin Labeling and Computational Approach 2007 BARONE, Vincenzo + 1.1 Articolo in rivista
Unraveling the internal conversion process within the Q-bands of a chlorophyll-like-system through surface-hopping molecular dynamics simulations 2021 Fortino M.Bloino J.Pedone A. + 1.1 Articolo in rivista
Unraveling the interplay of different contributions to the stability of the quinhydrone dimer 2014 BARONE, VincenzoD'ISCHIA, MARCO + 1.1 Articolo in rivista
Unraveling the peculiar modus operandi of a new class of solvatochromic fluorescent molecular rotors by spectroscopic and quantum mechanical methods 2013 BRANCATO, GiuseppeBARONE, Vincenzo + 1.1 Articolo in rivista
Unraveling the role of additional OH-radicals in the H–Abstraction from Dimethyl sulfide using quantum chemical computations 2020 Salta, ZoiLupi, JacopoTasinato, NicolaBarone, Vincenzo + 1.1 Articolo in rivista
Unraveling the role of entropy in tuning unimolecular vs. bimolecular reaction rates: The case of olefin polymerization catalyzed by transition metals 2018 Barone, Vincenzo + 1.1 Articolo in rivista
Unraveling the Role of Stereo-electronic, Dynamical, and Environmental Effects in Tuning the Structure and Magnetic Properties of Glycine Radical in Aqueous Solution at Different pH Values 2007 BRANCATO, GiuseppeBARONE, Vincenzo + 1.1 Articolo in rivista
Unravelling eumelanin structure 2009 M. d’Ischia + 4.1 Contributo in Atti di convegno
Unsupervised search of low-lying conformers with spectroscopic accuracy: A two-step algorithm rooted into the island model evolutionary algorithm 2020 Mancini G.Fuse' M.Lazzari F.Chandramouli B.Barone V. 1.1 Articolo in rivista
Unusual binary aggregates of perylene bisimide revealed by their electronic transitions in helium nanodroplets and DFT calculations 2021 Bloino J. + 1.1 Articolo in rivista
Unveiling Bifunctional Hydrogen Bonding with the Help of Quantum Chemistry: The Imidazole-Water Adduct as Test Case 2021 Melli, AlessioBarone, VincenzoPuzzarini, Cristina 1.1 Articolo in rivista
Unveiling the non-covalent interactions of molecular homodimers by dispersion-corrected DFT calculations and collision-induced broadening of ro-vibrational transitions: application to (CH2F2)2and (SO2)2 2015 TASINATO, Nicola + 1.1 Articolo in rivista
Unveiling the Sulfur-Sulfur Bridge: Accurate Structural and Energetic Characterization of a Homochalcogen Intermolecular Bond 2018 Spada, LorenzoAlessandrini, SilviaRampino, SergioTasinato, NicolaMendolicchio, MarcoGauss, JürgenPuzzarini, CristinaGrabow, Jens-UweBarone, Vincenzo + 1.1 Articolo in rivista
Uracil anion radical in aqueous solution: Thermodynamics versus Spectroscopy 2010 BRANCATO, GiuseppeBARONE, Vincenzo + 1.1 Articolo in rivista
Use of molecular symmetry in the computation of solvation energies and their analytical derivatives by the polarizable continuum model 1999 BARONE, Vincenzo + 1.1 Articolo in rivista
UV-Dissipation Mechanisms in the Eumelanin Building Block DHICA 2010 d'Ischia M. + 1.1 Articolo in rivista
UV-Resonance Raman Spectra of Systems in Complex Environments: A Multiscale Modeling Applied to Doxorubicin Intercalated into DNA 2023 Gómez, SaraLafiosca, PieroEgidi, FrancoGiovannini, TommasoCappelli, Chiara 1.1 Articolo in rivista
UV-vis spectra of p-benzoquinone anion radical in solution by a TD-DFT/PCM approach 2007 BARONE, Vincenzo + 1.1 Articolo in rivista
Mostrati risultati da 1.870 a 1.889 di 1.952
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