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Mostrati risultati da 1.818 a 1.837 di 1.950
Titolo Data di pubblicazione Autori Tipo File
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
Towards the Grid design of the dynamics engine of a molecular simulator. 2006 SKOUTERIS, Dimitrios + 1.1 Articolo in rivista
Towards the SMART workflow system for computational spectroscopy 2018 D. LicariM. FusèA. SalvadoriN. TasinatoM. MendolicchioG. ManciniV. Barone 1.1 Articolo in rivista
Towards the Supramolecular Structure of Collagen: a Molecular Dynamics Approach 2005 CAPPELLI, Chiara + 1.1 Articolo in rivista
Towards the understanding of the excited state behavior of nucleic acids: how solvent and stacking interactions modulate the structure and the reactivity of nucleobases excited state 2007 BARONE, Vincenzo + 4.1 Contributo in Atti di convegno
Toxicity of melanin-free ink of Sepia officinalis to transformed cell lines: identification of the active factor as tyrosinase 2003 M. D'ISCHIA + 1.1 Articolo in rivista
TRANSITION-METAL TETRAHYDROBORATE COMPLEXES AS CATALYSTS .1. NON-EMPIRICAL DETERMINATION OF STATIC, DYNAMIC, AND CHEMICAL-PROPERTIES OF THE MODEL COMPOUNDS NABH4 AND ALH2BH4 1981 BARONE, Vincenzo + 1.1 Articolo in rivista
TRANSITION-STATE STRUCTURE AND ISOTOPE EFFECTS IN UNIMOLECULAR HYDROGEN ELIMINATION FROM CARBOCATIONS 1983 BARONE, Vincenzo + 1.1 Articolo in rivista
Transport properties of binuclear metal complexes of the VIII group using a simplified NEGF-DFT approach 2013 BARONE, Vincenzo + 1.1 Articolo in rivista
Trichocyanines: A Red-Hair-Inspired Modular Platform for Dye-Based One-Time-Pad Molecular Cryptography 2015 CRESCENZI, ORLANDOBarone, V.D'ISCHIA, MARCO + 1.1 Articolo in rivista
Trihydroxybenzacridine pigments by oxidative coupling of chlorogenic acid with amino acids and proteins: toward natural product-based green food coloring 2017 D'ISCHIA, MARCO + 4.2 Abstract in Atti di convegno
Tris buffer modulates polydopamine growth, aggregation, and paramagnetic properties 2014 D'ISCHIA, MARCO + 1.1 Articolo in rivista
Tubulin nitration in human gliomas 2006 Palumbo, AnnaD'Ischia, Marco + 1.1 Articolo in rivista
Tuning dispersion correction in DFT-D2 for metal-molecule interactions: A tailored reparameterization strategy for the adsorption of aromatic systems on Ag(1 1 1) 2018 Barone, VincenzoCASARIN, MAURIZIOFORRER, DanielPavone, Michele + 1.1 Articolo in rivista
Tuning of dye optical properties by environmental effects: a QM/MM and experimental study 2016 DEL FRATE, GianlucaBELLINA, FABIOMANCINI, GIORDANOMARIANETTI, GIULIAMINEI, PIERPAOLOBARONE, Vincenzo + 1.1 Articolo in rivista
Tuning of NMR and EPR parameters by vibrational averaging and environmental effects: an integrated computational approach 2013 F. EgidiJ. BloinoCAPPELLI, ChiaraBARONE, Vincenzo + 1.1 Articolo in rivista
Tuning of structural and magnetic properties of nitronylnitroxides by the environment. A combined experimental and computational study 1999 BARONE, Vincenzo + 1.1 Articolo in rivista
A twist on the reaction of the CN radical with methylamine in the interstellar medium: New hints from a state-of-the-art quantum-chemical study 2020 Puzzarini C.Salta Z.Tasinato N.Lupi J.Cavallotti C.Barone V. 1.1 Articolo in rivista
Two-Component Noncollinear Time-Dependent Spin Density Functional Theory for Excited State Calculations 2017 Egidi, FrancoScalmani, Giovanni + 1.1 Articolo in rivista
Mostrati risultati da 1.818 a 1.837 di 1.950
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