All Stories

  1. Dynamics of dissociative chemisorption of O2 on Cu(100) surface: A theoretical study

    Article • Surface Science, October 2019, Elsevier

    Martin-Gondre Ludovic

  2. Hydrogen chloride adsorption on large defective PAHs modeling soot surfaces and influence on water trapping: A DFT and AIMD study

    Article • Chemical Physics, July 2019, Elsevier

    Martin-Gondre Ludovic

  3. Unraveling the metastability of the SI and SII carbon monoxide hydrate with a combined DFT-neutron diffraction investigation

    Article • The Journal of Chemical Physics, May 2019, American Institute of Physics

    Martin-Gondre Ludovic

  4. Modeling the THF clathrate hydrate dynamics by combining molecular dynamics and quasi-elastic neutron scattering

    Article • Chemical Physics, October 2017, Elsevier

    Martin-Gondre Ludovic

  5. A DFT study of the interaction between large PAHs and atomic chlorine or hydrogen chloride molecule: Toward a modelling of the influence of chlorinated species on the trapping of water by soot

    Article • Chemical Physics, February 2017, Elsevier

    Martin-Gondre Ludovic

  6. Adsorption dynamics of molecular nitrogen at an Fe(111) surface

    Article • Physical Chemistry Chemical Physics, January 2017, Royal Society of Chemistry

    Martin-Gondre Ludovic

  7. Dissociative adsorption dynamics of nitrogen on a Fe(111) surface

    Article • Physical Chemistry Chemical Physics, January 2017, Royal Society of Chemistry

    Martin-Gondre Ludovic

  8. Density functional theory study of nitrogen atoms and molecules interacting with Fe(1 1 1) surfaces

    Article • Nuclear Instruments and Methods in Physics Research Section B Beam Interactions with Materials and Atoms, September 2016, Elsevier

    Martin-Gondre Ludovic

  9. Modifying the Flexibility of Water Cages by Co-Including Acidic Species within Clathrate Hydrate

    Article • The Journal of Physical Chemistry C, April 2015, American Chemical Society (ACS)

    Martin-Gondre Ludovic

  10. Influence of the van der Waals interaction in the dissociation dynamics of N2 on W(110) from first principles

    Article • The Journal of Chemical Physics, February 2015, American Institute of Physics

    Martin-Gondre Ludovic

  11. Scattering of Nitrogen Atoms off Ag(111) Surfaces: A Theoretical Study

    Article • The Journal of Physical Chemistry C, May 2013, American Chemical Society (ACS)

    Martin-Gondre Ludovic

  12. Surface temperature effects on the dynamics of N2 Eley-Rideal recombination on W(100)

    Article • The Journal of Chemical Physics, January 2013, American Institute of Physics

    Martin-Gondre Ludovic

  13. Potential Energy Surfaces for the Dynamics of Elementary Gas-Surface Processes

    Article • January 2013, Springer Science + Business Media

    Martin-Gondre Ludovic

  14. Dynamics of Nitrogen Scattering off N-Covered Ag(111)

    Article • The Journal of Physical Chemistry C, October 2012, American Chemical Society (ACS)

    Martin-Gondre Ludovic

  15. Dynamics of the Oxygen Molecules Scattered from the Graphite (0001) Surface and Comparison with Experimental Data

    Article • The Journal of Physical Chemistry C, September 2012, American Chemical Society (ACS)

    Martin-Gondre Ludovic

  16. Dynamical reaction pathways in Eley-Rideal recombination of nitrogen from W(100)

    Article • The Journal of Chemical Physics, August 2012, American Institute of Physics

    Martin-Gondre Ludovic

  17. Quasiclassical Trajectory Dynamics Study of Atomic Oxygen Collisions on an O-Preadsorbed Graphite (0001) Surface with a New Analytical Potential Energy Surface

    Article • The Journal of Physical Chemistry C, June 2012, American Chemical Society (ACS)

    Martin-Gondre Ludovic

  18. Classical dynamics study of atomic oxygen over graphite (0001) with new interpolated and analytical potential energy surfaces

    Article • Computational and Theoretical Chemistry, June 2012, Elsevier

    Martin-Gondre Ludovic

  19. Energy dissipation channels in the adsorption of N on Ag(111)

    Article • Computational and Theoretical Chemistry, June 2012, Elsevier

    Martin-Gondre Ludovic

  20. Publisher’s Note: Competition between Electron and Phonon Excitations in the Scattering of Nitrogen Atoms and Molecules off Tungsten and Silver Metal Surfaces [Phys. Rev. Lett.108, 096101 (2012)]

    Article • Physical Review Letters, March 2012, American Physical Society (APS)

    Martin-Gondre Ludovic

  21. Competition between Electron and Phonon Excitations in the Scattering of Nitrogen Atoms and Molecules off Tungsten and Silver Metal Surfaces

    Article • Physical Review Letters, February 2012, American Physical Society (APS)

    Martin-Gondre Ludovic

  22. Recombination and chemical energy accommodation coefficients from chemical dynamics simulations: O/O2 mixtures reacting over a β-cristobalite (001) surface

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Martin-Gondre Ludovic

  23. Dynamics simulation of N2 scattering onto W(100,110) surfaces: A stringent test for the recently developed flexible periodic London–Eyring–Polanyi–Sato potential energy surface

    Article • The Journal of Chemical Physics, May 2010, American Institute of Physics

    Martin-Gondre Ludovic

  24. Detailed description of the flexible periodic London–Eyring–Polanyi–Sato potential energy function

    Article • Chemical Physics, February 2010, Elsevier

    Martin-Gondre Ludovic

  25. Is the LEPS potential accurate enough to investigate the dissociation of diatomic molecules on surfaces?

    Article • Chemical Physics Letters, March 2009, Elsevier

    Martin-Gondre Ludovic