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
Ph.D., Theoretical Chemistry, University of Extremadura, Badajoz, Spain, 2014
Professional Profile
2019-present: Research Scientist, KAUST, Thuwal, Saudi Arabia
2017-2019: Postdoctoral fellow, KAUST, Thuwal, Saudi Arabia
2014-2016: Postdoctoral fellow, University of Missouri-Columbia, United States
Awards
Outstanding Doctoral Dissertation Award, University of Extremadura, Badajoz, Spain.
KAUST Affiliations
Clean Combustion Research Center
Division of Physical Sciences and Engineering
Research Interests Keywords
Theoretical kinetic and dynamic studies of gas phase reactionscombustion and atmospheric chemistry
