2013

List of QCEXVAL members contributions at 2013

• 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”

• 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”

• 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”

• 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”

• 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

• 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

• 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”