QCEXVAL

List of QCEXVAL contributions in 2010

  • Congress: “8th european Conference on Computational Chemistry: Satellite meeting to 3rd EuChemMS cChemistry Congress in Nurnberg”
    25-28 August 2010, Lund, Sweden.
    Webpage
    Participants:

    • Luis Serrano-Andrés, Conference
      Title:”Photochemistry and Quantum Chemistry: the New Frontiers”
    • Angelo Giussani, Israel González-Ramírez, Teresa Climent, Manuela Merchán and Luis Serrano-Andrés, Poster
      Title:”The photochemistry of DNA: Photoexcited DNA base pair and bipyrimidine lesions”
  • Congress: “10th European Conference on Atoms, Molecules and Photons”
    Palacio de Congresos de Salamanca, 4th-9th July, 2010
    Webpage
    Participants:

    • Luis Serrano-Andrés, Conference
      Title:”Photophysics of molecules of biological interest”
  • Congress: “ESPA 2010 Electronic Structure: Principles and Applications”
    Universitad de Oviedo, Oviedo, SPAIN, 29th Juny-2nd July, 2010
    Contributions:

    • I. González-Ramírez, D. Roca-Sanjuán, M. Rubio, M. Merchán, and L. Serrano-Andrés
      Poster: “Ab Initio Study of Hydrogen Dissociation in Uracil by Low Energy Electrons”
    • M. Rubio, D. Roca-Sanjuán, M. Merchán, and L. Serrano-Andrés
      Poster: “Ionization Potentials of DNA Nucleotides: a CASPT2 Study”
    • A. Giussani, D. Roca-Sanjuán, G. Olaso-González, J. J. Serrano-Pérez, M. Merchán, and L. Serrano-Andrés
      Poster: “The Photochemistry of DNA: Photoexcited DNA Base Pairs and the Nature of the Excimer-Exciplex States”
    • V. Sauri, L. Serrano-Andrés, S. Vancoille, and K. Pierloot
      Poster: “Performance of the RASPT2 Method to Compute Excited States”
    • J. J. Serrano-Pérez; Together with GEM2 group from University of Barcelona
      Oral Communication:”On the structural and electronic properties of AlQ3
  • Congress: “II Jornadas de Jóvenes Investigadores en Física Atómica y Molecular (II Young Researchers in Atomic and Molecular Physics Meeting)”
    Universitat de Barcelona, 21st-22nd January, 2010
    Webpage
    Participants:

    • Juan José Serrano-Pérez, Conference
      Title:”Phototherapy with Furocoumarins: A Quantum-Chemical Study”

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