List of QCEXVAL contributions in 2013

  • Congress: “The Eighth Annual Conference on the Physics, Chemistry and Biology of Water”

    22-25 October 2013, Samokov, Bulgaria.

    • 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.

    • 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.

    • 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

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