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Scientific Activities |
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2001 - 2005 Ph.D. on chemical and photochemical reactivity of anthocyanins in ordered systems (Prof. Frank Herbert Quina, University of São Paulo - Brazil). 2006 - present Post Doc fellow on geminate recombination/pair dissociation at the surface of SDS micelles, employing flavylium salts as probes (Prof. António Maçanita, Technical University of Lisbon - Portugal). |
Recent Publications |
1 - Freitas, A. A.; Shimizu, K.; Dias, L. G.; Quina, F. H. (2007)
"A Computational Study of Substituted Flavylium Salts and their Quinonoidal Conjugate-Bases: S0->S1 Electronic Transition,
Absolute pKa and Reduction Potential Calculations by DFT and Semiempirical Methods", J. Braz. Chem. Soc., 18, 1537-1546.
(pdf)
2 - Quina, F. H.; Freitas, A. A.; Maçanita, A. L.; Silva, P. F.; Lima, J. C. (2006) "The (Photo)Chemistry of Anthocyanins", The Spectrum, 19, 12-17. (pdf) 3 - Shimizu, K.; Freitas, A. A.; Dias, L. G. (2005) “Predicting Hydration Free Energies of Neutral Compounds by a New Parameterization of the Polarisable Continuum Model”, J. Phys. Chem. A, 109, 11322-11327. (abstract) |
Scientific Interests |
Quantum chemical calculations, reactivity of anthocyanins and related compounds in ordered media,
physical organic chemistry of photoacids, photophysics and redox properties of functionalized flavylium salts.
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