Caterina Bernini

Excited State Geometries and Vertical Emission Energies of Solvated Dyes for DSSC: A PCM/TD-DFT Benchmark Study

Caterina Bernini, Lorenzo Zani, Massimo Calamante et al. · Journal of Chemical Theory and Computation · 2014 · 99 citations

Localized Excited State, Engineering, Emission Energies +20

New pyrazolo[3,4-d]pyrimidines endowed with A431 antiproliferative activity and inhibitory properties of Src phosphorylation

Silvia Schenone, Olga Bruno, Angelo Ranise et al. · Bioorganic & Medicinal Chemistry Letters · 2004 · 84 citations

Biochemistry, Medicine, Natural Sciences +8

Synthesis, spectroscopic and DFT structural characterization of two novel ruthenium(III) oxicam complexes. In vivo evaluation of anti-inflammatory and gastric damaging activities

Gabriella Tamasi, Caterina Bernini, Gianfranco Corbini et al. · Journal of Inorganic Biochemistry · 2014 · 28 citations

Inorganic Chemistry, Biochemistry, Natural Sciences +8

EPR parameters of amino acid radicals in P. eryngii versatile peroxidase and its W164Y variant computed at the QM/MM level

Caterina Bernini, Rebecca Pogni, Francisco J. Ruiz‐Dueñas et al. · Physical Chemistry Chemical Physics · 2011 · 28 citations

Effects of the Protein Environment on the Spectral Properties of Tryptophan Radicals in <i>Pseudomonas aeruginosa</i> Azurin

Caterina Bernini, Tadeusz Andruniów, Massimo Olivucci et al. · Journal of the American Chemical Society · 2013 · 27 citations

Key Reactive Intermediates, Biochemistry, Natural Sciences +15