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Mostrati risultati da 100 a 112 di 112
Titolo Data di pubblicazione Autori Tipo File
Toward a reliable computational support to the spectroscopic characterization of excited state intramolecular proton transfer: [2,2'-bipyridine]-3,3'-diol as a test case 2003 BARONE, Vincenzo + 1.1 Articolo in rivista
Toward reliable adiabatic connection models free from adjustable parameters 1997 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
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 Linear Scaling in Continuum Solvent Models: a New Iterative Procedure for Energies and Geometry Optimizations 1998 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
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
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
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
VALIDATION OF SELF-CONSISTENT HYBRID APPROACHES FOR THE STUDY OF TRANSITION-METAL COMPLEXES - NICO AND CUCO AS CASE-STUDIES 1995 BARONE, Vincenzo 1.1 Articolo in rivista
A variational matrix decomposition applied to full configuration-interaction calculations 1992 Koch, Henrik + 1.1 Articolo in rivista
Vibrational spectra of difluorosilane from a hybrid ab-initio and DFT quartic force field 2005 BARONE, Vincenzo + 1.1 Articolo in rivista
Vibrational spectra of large molecules by density functional computations beyond the harmonic approximation: the case of pyrrole and furan 2004 BARONE, Vincenzo 1.1 Articolo in rivista
Mostrati risultati da 100 a 112 di 112
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