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

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Mostrati risultati da 62 a 81 di 1.943
Titolo Data di pubblicazione Autori Tipo File
A polarizable multistate empirical valence bond model for proton transport in aqueous solution 2005 BRANCATO, Giuseppe + 1.1 Articolo in rivista
A POSSIBLE MODEL OF CATALYTIC SITES FOR THE STEREOSPECIFIC POLYMERIZATION OF ALPHA-OLEFINS ON 1ST-GENERATION AND SUPPORTED ZIEGLER-NATTA CATALYSTS 1983 BARONE, Vincenzo + 1.1 Articolo in rivista
A PRIORI HYBRIDIZATION WITH THE MAXIMUM LOCALIZATION CRITERION - GENERAL-ASPECTS AND NEW DEVELOPMENTS 1988 BARONE, Vincenzo + 1.1 Articolo in rivista
A profile of the oxidation chemistry of 5-hydroxyindole under biomimetic conditions 1988 M. D'ISCHIA + 1.1 Articolo in rivista
A quantum mechanical/molecular dynamics/mean field study of acrolein in aqueous solution: Analysis of H bonding and bulk effects on spectroscopic properties 2006 BRANCATO, GiuseppeBARONE, Vincenzo + 1.1 Articolo in rivista
A Robust and Effective Time-Independent Route to the Calculation of Resonance Raman Spectra of Large Molecules in Condensed Phases with the Inclusion of Duschinsky, Herzberg–Teller, Anharmonic, and Environmental Effects 2014 EGIDI, FRANCOJulien BloinoBARONE, VincenzoChiara Cappelli 1.1 Articolo in rivista
A Robust Fungal Allomelanin Mimic: An Antioxidant and Potent π-Electron Donor with Free-Radical Properties that can be Tuned by Ionic Liquids 2019 LINO, VALERIAd'Ischia M. + 1.1 Articolo in rivista
A second-order perturbation theory route to vibrational averages and transition properties of molecules: general formulation and application to infrared and vibrational circular dichroism spectroscopies 2012 Bloino J.BARONE, Vincenzo 1.1 Articolo in rivista
A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution 2006 BARONE, Vincenzo + 1.1 Articolo in rivista
A superior all-natural antioxidant biomaterial from spent coffee grounds for polymer stabilization, cell protection and food lipid preservation 2016 D’Ischia Marco + 4.2 Abstract in Atti di convegno
A superior antioxidant biomaterial from spent coffee grounds: cell protection, food lipid preservation and in vitro digestion 2016 d’Ischia Marco + 4.2 Abstract in Atti di convegno
A TD-DFT STUDY OF THE UV SPECTRA OF URACIL IN THE GAS PHASE AND IN WATER SOLUTION 2004 BARONE, Vincenzo + 4.1 Contributo in Atti di convegno
A TDDFT study of the electronic spectrum of s-tetrazine in the gas-phase and in aqueous solution 2000 BARONE, Vincenzo + 1.1 Articolo in rivista
A theoretical approach to simulate Alpo-kanemite structures 2006 BARONE, Vincenzo + 4.1 Contributo in Atti di convegno
A THEORETICAL CHARACTERIZATION OF THE STRUCTURE FORMATION ENTHALPY, AND FLUCTIONAL BEHAVIOR OF B2H6 AND ALBH6 1989 BARONE, Vincenzo + 1.1 Articolo in rivista
A THEORETICAL INVESTIGATION OF POTENTIAL-ENERGY SURFACES GOVERNING THE PHOTOCHEMICAL TAUTOMERIZATION OF 2-PYRIDONE 1994 BARONE, Vincenzo + 1.1 Articolo in rivista
A theoretical investigation of the ground end excited states of selected Ru and Os polypyridyl molecular dyes 2002 BARONE, Vincenzo + 1.1 Articolo in rivista
A theoretical investigation of valence and Rydberg electronic states of acrolein 2003 BARONE, Vincenzo + 1.1 Articolo in rivista
A theoretical study of ethylene, cyclopentene and 1-amino-3-cyclopentene adsorption on the silicon <100> surface 2006 BARONE, Vincenzo + 1.1 Articolo in rivista
A Theoretical Study of Substituent Effects on the Structure of Isolated and Condensed three-membered Rings. A Comparison between Radicals and Parent Hydrocarbons 1998 BARONE, Vincenzo + 1.1 Articolo in rivista
Mostrati risultati da 62 a 81 di 1.943
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