List of QCEXVAL contributions in 2015

• Computational Chemistry in the Excited State

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

• Computational Chemistry

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

  • 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”

• XVIII Simpósio Brasileiro de Química Teórica, SBQT2015

  November 22^nd-25^th, 2015, Pirenópolis – Goiás, Brazil.
  Contributions:

  • Pooria Farahani, Daniel Roca-Sanjuán and Wilheim J. Baader
    Invited Conference:“Theoretical Strategies on Chemiluminescence Reactions”

• CECAM Workshop – DNA damages: Modeling and rationalize structure and reactivity

  November 3^rd-6^th, 2015, Lyon, France.
  Contributions:

  • 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 20^th-24^th, 2015, Postdam, Germany.
  Contributions:

  • 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 11^th-15^th, 2015, Beijing, China.
  Contributions:

  • 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 19^th-23^rd, 2015, A Coruña, Spain.
  Contributions:

  • 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 21^st-24^th, 2015, Nantes, France.
  Contributions:

  • 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”