Research Interests

​Theoretical kinetic and dynamic studies of gas phase reactions, combustion and atmospheric chemistry


Selected Publications

  • On the role of the termolecular reactions 2O2 + H2 → 2HO2 and 2O2 + H2 → H + HO2 + O2 in formation of the first rad...
    M. Palacios, H. Rafatijo
    Physical Chemistry Chemical Physics 19, 2175-2185 , (2017)
  • Quasiclassical trajectory study of the effect of antisymmetric stretch mode excitation on the O(3 P) + CH4(ν3 = 1) ...
    M. Palacios, E. Lavado, J. Garcia
    Journal of Chemical Physics 141, 094307 , (2014 )
  • Role of Vibrational and Translational Energy in the OH + NH3 Reaction: A Quasi-Classical Trajectory Study
    M. Palacios, J. Garcia
    Journal of Physical Chemistry 117, 50425051 , (2013 )
  • Ab initio based potential energy surface and kinetics study of the OH + NH3 hydrogen abstraction reaction
    M. Palacios, C. Rangel, J. Garcia
    Journal of Chemical Physics 138, 084305 , (2013 )
  • Analytical potential energy surface for the reaction with intermediate complexes NH3 + Cl → NH2 + HCl: Application ...
    M.Palacios, C. Rangel, J. Corchado, J. Garcia
    International Journal of Quantum Chemistry 112, 1887-1903 , (2012 )
  • QCT and QM calculations of the Cl(2P) + NH3reaction: influence of the reactant well on the dynamics
    M. Palacios, M. Yang, J. Garcia
    Physical Chemistry Chemical Physics, 14, 4824-4834, (2012)
  • The rate constant for radiative association of HF: Comparing quantum and classical dynamics.
    M. Gustafsson, M. Palacios, G. Nyman
    Journal of Chemical Physics 140, 184301 , (2014 )
  • Energy Transfer and Thermal Accommodation in Ozone Scattering from a Perfluorinated Self-Assembled Monolayer.
    M. Palacios, J. Nogueira, and E. Núñez
    Journal of Physical Chemistry C 48, 25454-25464 , (2012)
  • Dynamics study of the OH + NH3 hydrogen abstraction reaction using QCT calculations based on an analytical potentia...
    M. Palacios, J. Corchado, J. Garcia
    Journal of Chemical Physics 138, 214306 , (2013)
  • Quasi-classical trajectory study of the role of vibrational and translational energy in the Cl(2P) + NH3 reaction
    M. Palacios, J. Corchado, J. Garcia
    Physical Chemistry Chemical Physics, 14, 7497-7508, (2012)

Education Profile

​Ph.D.; Theoretical Chemistry, University of Extremadura, Badajoz, Spain, 2014


Professional Profile

​2014-2016: Postdoctoral fellow, University of Missouri-Columbia, United States

Current position: Postdoctoral fellow, KAUST, Thuwal, Saudi Arabia

Awards

​Outstanding Doctoral Dissertation Award, University of Extremadura, Badajoz, Spain.


KAUST Affiliations

​Clean Combustion Research Center

Division of Physical Sciences and Engineering


International Affiliations

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