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Journal of Computational Chemistry|October 30, 2007
Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test caseFabrizio Santoro, Vincenzo Barone, Roberto ImprotaJournal of the American Chemical Society|November 17, 2007
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 valuesGiuseppe Brancato, Nadia Rega, Vincenzo BaroneJournal of Chemical Theory and Computation|November 25, 2015
Accurate Anharmonic Vibrational Frequencies for Uracil: The Performance of Composite Schemes and Hybrid CC/DFT ModelCristina Puzzarini, Malgorzata Biczysko, Vincenzo BaroneAngewandte Chemie (International Ed. in English)|September 1, 2017
Correct Modeling of Cisplatin: a Paradigmatic CaseNicola Tasinato, Cristina Puzzarini, Vincenzo BaroneThe Journal of Chemical Physics|March 12, 2009
Magnetic coupling in bis-nitronylnitroxide radicals: The role of aromatic bridgesVincenzo Barone, Ivo Cacelli, Alessandro FerrettiJournal of Chemical Theory and Computation|May 4, 2026
From Energies to Structures: PNO-F12 Geometry Optimization of Large Molecules for Near-Spectroscopic AccuracyLuigi Crisci, Federico Lazzari, Vincenzo BaronePhysical Review Letters|March 21, 2008
Accurate density functional calculations of near-edge x-ray and optical absorption spectra of liquid water using nonperiodic boundary conditions: the role of self-interaction and long-range effectsGiuseppe Brancato, Nadia Rega, Vincenzo BaroneThe Journal of Physical Chemistry. A|April 5, 2021
Unveiling Bifunctional Hydrogen Bonding with the Help of Quantum Chemistry: The Imidazole-Water Adduct as Test CaseAlessio Melli, Vincenzo Barone, Cristina PuzzariniJournal of Chemical Theory and Computation|October 20, 2021
Accurate Biomolecular Structures by the Nano-LEGO Approach: Pick the Bricks and Build Your GeometryGiorgia Ceselin, Vincenzo Barone, Nicola TasinatoThe Journal of Chemical Physics|October 12, 2004
Complete structural and magnetic characterization of biological radicals in solution by an integrated quantum mechanical approach: glycyl radical as a case studyIlaria Ciofini, Carlo Adamo, Vincenzo BaronePageof 50