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PELAEZ-RUIZ Daniel

par Pelaez-Ruiz - publié le , mis à jour le

Lecturer
University of Lille

Postal address :
- Bâtiment P5bis - Bureau 066
- Tel : +33(0)320 33 72 70
- Daniel.Pelaez-Ruiz@univ-lille1.fr

Research interests

- MCTDH (and related) Quantum Dynamics : Vibrational studies and Photochemistry
- Method development for the representation of the PES
- Ab Initio studies of chemical reactivity

Academic career

  • Feb 2014 - Aug 2014
    Research Fellow in the Group of Graham Worth
    Theoretical Chemistry, School of Chemistry
    University of Birmingham (UK)
  • Aug 2010 - Jan 2014
    Research Fellow in the Group of Hans-Dieter Meyer
    Theoretische Chemie, Physikalisch-chemisches Institut
    Universität Heidelberg (Germany)
  • Apr 2008 - Apr 2010
    Research Fellow in the Group of Stuart C. Althorpe
    Cambridge University Centre for Computational Chemistry
    University of Cambridge (UK)
  • Jun 2007 - Mar 2008
    Postdoctoral Researcher in the Groupe of Juan F. Arenas Rosado
    Department of Physical Chemistry, Faculty of Sciences
    University of Málaga (Spain)

Education

- 2004-2007 Ph.D. Thesis
Photochemical reactivity of nitro- et nitrosocompounds at the CASSCF//CASPT2 level of theory : Relevance of Non-adiabatic Processes.
Department of Physical Chemistry, University of Málaga (Spain).
Directors : Prof. Dr. Juan F. Arenas and Prof. Dr. Juan Soto

Selected publications

  • Nature Communications 5, 4126 (2014)
    C. Lévêque, D. Peláez, H. Köppel, R. Taïeb
    Direct observation of spin-forbidden transitions through the use of suitably polarized light
  • J. Chem. Phys. 138, 014108 (2013)
    D. Peláez et H.-D. Meyer
    The multigrid POTFIT (MGPF) method : Grid representations of potentials for quantum dynamics of large systems
  • Phys. Chem. Chem. Phys. 11, 231 (2009)
    J. Soto, J. F. Arenas, F. J. Ávila, J. C. Otero, D. Peláez
    Photodissociation mechanism of methyl nitrate. A study with the second order multiconfigurational perturbation theory
  • J. Chem. Phys. 128, 124322 (2008)
    F. Bouakline, Stuart C. Althorpe, D. Peláez Ruiz
    Strong geometric-phase effects in the hydrogen-exchange reaction at high collision energies
  • J. Chem. Phys. 125, 164311 (2006)
    D. Peláez, J. F. Arenas, J. C. Otero, J. Soto
    A complete self-consistent field study of the photochemistry of nitrosamine
    De plus selectioné et publié dans The Virtual Journal of Ultrafast Science, Novembre 2006.
  • J. Chem. Phys. 119, 7814 (2003)
    J. F. Arenas, J. C. Otero, D. Peláez, J. Soto
    The ground and excited state potential energy surfaces of nitromethane related to its dissociation dynamics after excitation at 193 nm