2012

List of QCEXVAL members contributions at 2012

• Congress: “8th Congress on Electronic Structure: Principles and Applications, ESPA 2012”

  Barcelona (Spain), 26-29 de Junio de 2012
  Contributions:

  • V. Sauri, M. G. S. Londesborough, D. Hnyk, J. Bould, L. Serrano-Andrés, M. Merchán, J. M. Oliva, P. Kub�t, T. Pol�vka, K. Lang
    Poster: “Photophysics of the isomers of B18H22 and 4,4-(HS)2-B18H20: Interplay between Theory and Experiment”

• Congress: “1st Ph.D. Workshop of the JDP on Theoretical Chemistry”

  Barcelona (Spain), 25-26 de Junio de 2012
  Contributions:

  • J. Segarra-Martí, D. Roca-Sanjuán, and M. Merchán
    Oral Communication: “Ab initio Determination of the Ionization Potentials of Water Clusters”

• Congress: “Electronic Structure Theory for Strongly Correlated Systems”

  Universities of Palermo, Torre Normana, Palermo, ITALY, 30th May – 1st June 2012
  Contributions:

  • A. Giussani, L. Serrano-Andrés, M. Merchán, D. Roca-Sanjuán, and M. Garavelli
    Poster: “On the Photoproduction Mechanism of the Thymine-Thymine (6-4) Adduct”
  • M. Rubio
    Conference: “Ionization Potentials of DNA Nucleotides: a CASPT2 study”

• Congress: “3^rd European Symposium on computing π-conjugated compounds”

  2-4 February 2012, Mons, Belgium.
  Participants:

  • A. Giussani, I. González-Ramírez, D. Roca-Sanjuán, M. Merchán, R. Lindh.
    Oral Communication:”Understanding the Photophysics of Basic Aromatic Chromophores”