Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia

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Mostrati risultati da 1.773 a 1.792 di 1.922
Titolo Data di pubblicazione Autori Tipo File
Toward an integrated computational approach for the description of localized physico-chemical properties involving biomolecules 2008 BARONE, VincenzoBRANCATO, Giuseppe + 2.1 Contributo in volume (Capitolo o Saggio)
Toward an integrated computational approach to CW-ESR spectra of free radicals 2006 BARONE, Vincenzo + 1.1 Articolo in rivista
Toward anharmonic computations of vibrational spectra for large molecular systems 2012 BARONE, VincenzoJ. Bloino + 1.1 Articolo in rivista
Toward eco-compatible OLEDs: melanin-inspired design of electroluminescent organic platforms 2016 Crescenzi, Orlandod’Ischia, Marco + 4.2 Abstract in Atti di convegno
Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach 2007 BARONE, Vincenzo + 1.1 Articolo in rivista
Toward Fully Unsupervised Anharmonic Computations Complementing Experiment for Robust and Reliable Assignment and Interpretation of IR and VCD Spectra from Mid-IR to NIR: The Case of 2,3-Butanediol and trans-1,2-Cyclohexanediol 2020 Paoloni L.Mazzeo G.Abbate S.Fuse M.Bloino J.Barone V. + 1.1 Articolo in rivista
Toward reliable adiabatic connection models free from adjustable parameters 1997 BARONE, Vincenzo + 1.1 Articolo in rivista
Toward reliable DF methods without adjustable parameters: the PBE0 model. 1999 BARONE, Vincenzo + 1.1 Articolo in rivista
Toward spectroscopic accuracy for open-shell systems: Molecular structure and hyperfine coupling constants of H2CN, H2CP, NH2, and PH2 as test cases 2010 BARONE, Vincenzo + 1.1 Articolo in rivista
Toward spectroscopic accuracy for organic free radicals: Molecular structure, vibrational spectrum, and magnetic properties of F2NO 2008 BARONE, Vincenzo + 1.1 Articolo in rivista
Toward spectroscopic studies of biologically relevant systems: Vibrational spectrum of adenine as a test case for performances of long-range/dispersion corrected density functionals 2009 BARONE, Vincenzo + 1.1 Articolo in rivista
Toward the design of alkynylimidazole fluorophores: computational and experimental characterization of spectroscopic features in solution and in poly(methyl methacrylate) 2015 Barone V.Bellina F.Biczysko M.Bloino J.Fornaro T.Latouche C.Marianetti G.Minei P. + 1.1 Articolo in rivista
Toward the detection of cyanoketene in the interstellar medium : new hints from quantum chemistry and rotational spectroscopy 2023 Ballotta, BernardoRampino, SergioBarone, Vincenzo + 1.1 Articolo in rivista
Towards a cost-effective modeling of fluorescence in the condensed phase 2023 Skoko, SGrifoni, EEgidi, FGiovannini, TPucci, ACappelli, C + 1.1 Articolo in rivista
Towards an effective computational protocol for the study of radiation damage in DNA bases. H addition to thymine as a test case 1999 BARONE, Vincenzo + 1.1 Articolo in rivista
Towards and Accurate Description of Anharmonic Infrared Spectra in Solution within the Polarizable Continuum Model: Reaction Field, Cavity Field and Nonequilibrium Effects 2011 Barone, VincenzoBloino, Julien Roland MichelLipparini, FilippoCappelli, Chiara 1.1 Articolo in rivista
Towards Eumelanin@Zeolite Hybrids: Pore-Size-Controlled 5,6-Dihydroxyindole Polymerization 2014 CRESCENZI, ORLANDOD'ISCHIA, MARCO + 1.1 Articolo in rivista
Towards In-Silica Screening of Molecule Permeation through Outer Membrane Channels in Gramm-Negative Bacteria 2017 D’Agostino, Tommaso + 1.5 Abstract in rivista
Towards Linear Scaling in Continuum Solvent Models: a New Iterative Procedure for Energies and Geometry Optimizations 1998 BARONE, Vincenzo + 1.1 Articolo in rivista
Towards the Design of Highly Selective Recognition Sites into Molecular Imprinting Polymers: a Computational Approach 2006 CAPPELLI, Chiara + 1.1 Articolo in rivista
Mostrati risultati da 1.773 a 1.792 di 1.922
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