List of QCEXVAL contributions in 2013
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Congress: “XVII Simpósio Brasileiro de Química Teórica”
24-28 November 2013, Angras dos Reis, Brazil.
Contributions:- A. Giussani, J. P. Gobbo, and A. C. Borin
Poster:“Photophysics of non-canonical nucleobases”
- A. Giussani, J. P. Gobbo, and A. C. Borin
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Congress: “The Eighth Annual Conference on the Physics, Chemistry and Biology of Water”
22-25 October 2013, Samokov, Bulgaria.
Contributions:- J. Segarra-Martí, M. Rubio, D. Roca-Sanjuán, and M. Merchán
Poster:“Towards the Understanding of the absorption and emission spectra of Structured-Water: a Fingerprint of π-Stacked Water” - D. Roca-Sanjuán, J. Segarra-Martí, and M. Merchán
Poster:“On the Ice-Like Model of Structured Water: A Spectroscopic Analysis from Quantum-Chemical Computations”
- J. Segarra-Martí, M. Rubio, D. Roca-Sanjuán, and M. Merchán
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Congress: “9th European Conference on Computational Chemistry (EUCO-CC9)”
1-5 September 2013, Sopron, Hungary.
Contributions:- A. Giussani, D. Roca-Sanjuán, and M. Merchán
Oral Communication:“On the photoinduced formation mechanism of cyclobutane pyrimidine dimers” - A. Giussani, D. Roca-Sanjuán, and M. Merchán
Oral Communication:“Photochemical reaction path towards thymine-thymine (6-4) adduct formation” - Dumitru-Claudiu Sergentu, D. Roca-Sanjuán, Remco W. A. Havenith, M. Merchán, R. Broer
Oral Communication:“Revisiting the Intersystem Crossing in Benzophenone” - D. Roca-Sanjuán, M. Merchán, R. Lindh
Oral Communication:“Towards the Understanding of the Chemiluminescence of Luminol”
- A. Giussani, D. Roca-Sanjuán, and M. Merchán
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Event: “14th European Summerschool in Quantum Chemistry 2013”
8-21 September 2013, Palermo, Italy.
Contributions:- A. Francés-Monerris, M. Merchán, and D. Roca-Sanjuan
Poster:“On the assignation of the electronic spectra of the addition of .OH to the pyrimidinic nucleobases and the photochemistry of 6-hydroxyurac-5-yl radical: a CASPT2//CASSCF study”
- A. Francés-Monerris, M. Merchán, and D. Roca-Sanjuan
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Conference: “Electronic Spectra of .OH Adducts of Uracil, Dihydrouracil, Thymine and Cytosine and Photochemistry of 6-hydroxyurac-5-yl radical: a CASSCF/CASPT2 study”
Norwegian University of Science and Technology (NTNU); invited by Prof. Dr. Henrik Koch
24 August 2013, Trondheim, Norway.
Participants: A. Francés-Monerris, M. Merchán, and D. Roca-Sanjuán
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Conference: “Photochemistry and Chemiluminescence of Biological Systems: A Theoretical Approach”
Departament of Theoretical Chemistry, Zernike Institute for Advanced Materials; invited by Prof. Dr. Ria Broer
26 July 2013, Groningen, The Netherlands.
Participant: D. Roca-Sanjuán
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Congress: “XXXIX International Conference of Theoretical Chemists of Latin Expression, QUITEL-2013”
30 Juny – 5 July 2013, Granada, Spain.
Contributions:- Daniel Roca-Sanjuán
Oral Communication:“Computational Photochemistry and Chemiluminescence in Biological Systems” - A. Francés-Monerris, M. Merchán, and D. Roca-Sanjuán
Oral Communication:“Electronic spectra of .OH Adducts of Uracil, Thymine and Cytosine: A CASPT2//CASSCF Study”
- Daniel Roca-Sanjuán