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2014

Conferences and courses

List of QCEXVAL members contributions at 2014

  • Congress: “XL Congreso de Químicos Teóricos de Expresión Latina, QUITEL2014”

    23-30 November 2014, San Cristóbal, Galápagos Islands, Equator.
    Contributions:

    • A. Francés-Monerris, M. Merchán, and D. Roca-Sanjuán
      Poster:“Damage to DNA/RNA nucleobases by UV radiation and reactive oxygen species. I. Dissociation mechanisms caused by low energy electrons (0-3 eV)”
    • A. Francés-Monerris, M. Merchán, and D. Roca-Sanjuán
      Poster:“Damage to DNA/RNA nucleobases by UV radiation and reactive oxygen species. II. OH radical addition and photochemistry of the hydroxylated products”

 

 

  • Congress: “9th Congress on Electronic Structure: Principles and Applications, ESPA2014”

    2-4 July 2014, Badajoz, Spain.
    Contributions:

    • Salmahaminati, R. Broer, R. W. A. Havenith, M. Merchán, and D. Roca-Sanjuán
      Poster:“Photophysics and Photochemistry of Sunlight-Absorbing Amino Acids: A CASSCF/CASPT2 Study”
    • T. Lemishko, A. Francés-Monerris, and D. Roca-Sanjuán
      Poster:“On the N-H and C-NH2 Bond Dissociation in Guanine by Low Energy Electrons: A CASSCF/CASPT2 Study”
    • M. K. Wibowo, V. Sauri, M. Rubio, D. Roca-Sanjuán, and M. Merchán
      Poster:“A RASPT2 Study of the Electronic Absorption Spectrum of Porphycene”
    • A. Francés-Monerris, M. Merchán, and D. Roca-Sanjuán
      Oral Communication:“Dissociative Electron Attachment in DNA Nucleobases by Low Energy Electrons (0-3 eV): A CASSCF/CASPT2 Study”
    • D. Roca-Sanjuán, A. Francés-Monerris, and P. Farahani
      Oral Communication:“Towards the Understanding of the Molecular Basis of the Chemiluminescence Phenomenon”

 

  • Congress: “The 18th International Symposium on Bioluminescence and Chemiluminescence, ISBC2014”

    23-28 June 2014, Uppsala, Sweden.
    Contributions:

    • P. Farahani, M. Lundberg, R. Lindh, and D. Roca-Sanjuán
      Oral Communication:“CASPT2//CASSCF Study Of the Ring-opening Mechanism of Dewar Dioxetane”
    • D. Roca-Sanjuén, P. Farahani, A. Francés-Monerris, and R. Lindh
      Oral Communication:“Engineering Chemiluminescent Properties by Means of Non-Adiabatic Computational Chemistry”
    • A. Francés-Monerris, D. Roca-Sanjuén, I. Fernández Galván, and R. Lindh
      Poster:“Towards the Understanding of the Larger Phosphorescence Quantum Yield than Fluorescence in Dioxetanone”

 

  • Conference: “Fotoquímica y quimioluminiscencia computationaal: Una poderosa herramienta para el estudio de los fenómenos de interacción luz-materia

    4 June 2014, Departamento de Química Analítica, Química Física e Ingeniería Qu�mica, Alcalá de Henares, Spain.
    Participant: Daniel Roca-Sanjuán
    Invited by: Luis Manuel Frutos Gaite

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