List of QCEXVAL contributions in 2015

  • Computational Chemistry in the Excited State

    November 18th, 2015, Department of Chemistry, Universitas Islam Indonesia, Yogyakarta, Indonesia.
    Participant: Daniel Roca-Sanjuán
    Invited by: Is Fatimah

  • Computational Chemistry

    November 16th-21st, 2015, Department of Chemistry, Universitas Islam Indonesia, Yogyakarta, Indonesia.

    • Daniel Roca-Sanjuán (invited lecturer)
      Lecture:“Introduction of Chemical Bond in Computational Chemistry”
      Lecture:“Schrödinger Equation related to Molecular Orbital Theory”
      Lecture:“Born-Oppenheimer Approximation”
      Lecture:“Diatomic and Polyatomic Molecules Spectroscopy”
  • CECAM Workshop – DNA damages: Modeling and rationalize structure and reactivity

    November 3rd-6th, 2015, Lyon, France.

    • Daniel Roca-Sanjuán, Antonio Francés-Monerris, and Manuela Merchán
      Invited Conference:DNA damage by UV light, OH/H radicals and low energy electrons: A theoretical insight from CASSCF/CASPT2 computations”
    • Antonio Francés-Monerris, Fabian Schüppel, Manuela Merchán, and Daniel Roca-Sanjuán
      Oral Communication:“A theoretical study on the OH/H radical addition to DNA/RNA pyrimidines and the photochemistry of the adducts”
    • Javier Segarra-Martí, Angelo Giussani, Artur Nenov, Ana J. Pepino, Salvatore F. Altavilla, Vishal K. Jaiswal, Ivan Rivalta and Marco Garavelli.
      Oral Communication: ” Monitoring the UV-photoinduced events in solvated nucleosides: first steps towards accurate time-resolved non-linear electronic spectroscopy”
  • 51th Symposium on Theoretical Chemistry (STC 2015)

    September 20th-24th, 2015, Postdam, Germany.

    • Javier Martí-Segarra, Marco Garavelli and Francesco Aquilante
      Poster:“Multiconfigurational second-order perturbation theory with frozen natural orbitals extended to the treatment of photochemical problems”
  • 1st International Workshop on Bioluminescence, IWB2015

    September 11th-15th, 2015, Beijing, China.

    • Daniel Roca-Sanjuán, Antonio Francés-Monerris, Pooria Farahani, Marcus Lundberg, and Roland Lindh
      Oral Communication:“Non-Adiabatic Computational Chemistry Applications to Photochemistry, Chemiluminescence, and Dark Photochemistry”
  • XXXV Bienal RSEQ

    July 19th-23rd, 2015, A Coruña, Spain.

    • Juan Z. Dávalos, Rafael Notario, Moisés Canle-L., Arturo Santaballa, Isabel Fernández, Douglas J. Klein, Debojit Bhattacharya, Vladimir Rosenfeld, Juanjo Ru�, Diego R. Alcoba, Gustavo Massaccessi, Ofelia B. Oña, Alicia Torre, Luís Laón, Drahomír Hnyk, Josef Holub, Michael Londesborough, Daniel Roca-Sanjuán, Antonio Francés-Monerris, Neil L. Allan, Clara Viñas, Francesc Teixidor, Josep M. Oliva
      Poster:“Boron: The Forgotten Element?”
  • Modelling Photoactive Molecules (MPM)

    April 21st-24th, 2015, Nantes, France.

    • Javier Segarra-Martí, Salvatore F. Altavilla, Artur Nenov, Ivan Rivalta y Marco Garavelli
      Oral Communication:“Tracking the photoinduced events in solvated Guanine Monophosphate: from QM/MM ab initio approaches to bidimensional electronic spectroscopy”

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