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Accueil > Équipes scientifiques > Approches théoriques en dynamique quantique > Structure et réactivité en astrophysique > Publications > Publications

Publications

2017

Morisset, S., Rougeau, N., & Teillet-Billy, D. (2017). Influence of a graphene surface on the first steps of the hydrogenation of a coronene molecule. Chemical Physics Letters, 679, 225–232.
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Wakelam, V., Bron, E., Cazaux, S., Dulieu, F., Gry, C., Guillard, P., Habart, E., Hornekær, L., Morisset, S., Nyman, G., Pirronello, V., Price, S. D., Valdivia, V., Vidali, G., & Watanabe, N. (2017). H 2 formation on interstellar dust grains: The viewpoints of theory, experiments, models and observations. Molecular Astrophysics, 9, 1–36.
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2016

Cazaux, S., Boschman, L., Rougeau, N., Reitsma, G., Hoekstra, R., Teillet-Billy, D., Morisset, S., Spaans, M., & Schlatholter, T. (2016). The sequence to hydrogenate coronene cations: A journey guided by magic numbers. Sci Rep, 6, 19835.
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2015

Houplin, J., Amiaud, L., Sedzik, T., Dablemont, C., Teillet-Billy, D., Rougeau, N., & Lafosse, A. (2015). A combined DFT/HREELS study of the vibrational modes of terphenylthiol SAMs. Eur. Phys. J. D, 69(9), 9 pp.
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2014

Nave, S., Tiwari, A. K., & Jackson, B. (2014). Dissociative chemisorption of methane on Ni and Pt surfaces: mode-specific chemistry and the effects of lattice motion. J Phys Chem A, 118(41), 9615–9631.
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Ouvrard, A., Wang, J., Ghalgaoui, A., Nave, S., Carrez, S., Zheng, W., Dubost, H., & Bourguignon, B. (2014). CO Adsorption on Pd(100) Revisited by Sum Frequency Generation: Evidence for Two Adsorption Sites in the Compression Stage. JOURNAL OF PHYSICAL CHEMISTRY C, 118(34), 19688–19700.
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2013

Garcia-Gil, S., Teillet-Billy, D., Rougeau, N., & Sidis, V. (2013). H Atom Adsorption on a Silicate Surface: The (010) Surface of Forsterite. JOURNAL OF PHYSICAL CHEMISTRY C, 117(24), 12612–12621.
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Han, D., Nave, S., & Jackson, B. (2013). Dissociative chemisorption of methane on Pt(110)-(1x2): effects of lattice motion on reactions at step edges. J Phys Chem A, 117(36), 8651–8659.
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Jackson, B., & Nave, S. (2013). The dissociative chemisorption of methane on Ni(111): The effects of molecular vibration and lattice motion. JOURNAL OF CHEMICAL PHYSICS, 138(17), 174705.
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2012

Bergeron, H., Curado, E. M. F., Gazeau, J. P., & Rodrigues, L. M. C. S. (2012). Generating functions for generalized binomial distributions. JOURNAL OF MATHEMATICAL PHYSICS, 53(10), 103304.
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Bergeron, H., Siegl, P., & Youssef, A. (2012). New SUSYQM coherent states for Poschl-Teller potentials: a detailed mathematical analysis. JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL, 45(24).
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Chaabouni, H., Bergeron, H., Baouche, S., Dulieu, F., Matar, E., Congiu, E., Gavilan, L., & Lemaire, J. L. (2012). Sticking coefficient of hydrogen and deuterium on silicates under interstellar conditions. ASTRONOMY & ASTROPHYSICS, 538, A128.
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Garcia-Gil, S., Garcia, A., & Ordejon, P. (2012). Calculation of core level shifts within DFT using pseudopotentials and localized basis sets. EUROPEAN PHYSICAL JOURNAL B, 85(7), 239.
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2011

Cazaux, S., Morisset, S., Spaans, M., & Allouche, A. (2011). When sticking influences H-2 formation. ASTRONOMY & ASTROPHYSICS, 535, A27.
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Jackson, B., & Nave, S. (2011). The dissociative chemisorption of methane on Ni(100): Reaction path description of mode-selective chemistry. JOURNAL OF CHEMICAL PHYSICS, 135(11), 114701.
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Rougeau, N., Teillet-Billy, D., & Sidis, V. (2011). On the PES for the interaction of an H atom with an H chemisorbate on a graphenic platelet. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 13(39), 17579–17587.
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2010

Bergeron, H., Gazeau, J. - P., Siegl, P., & Youssef, A. (2010). Semi-classical behavior of Poschl-Teller coherent states. EPL, 92(6), 60003.
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Ivanovskaya, V. V., Zobelli, A., Teillet-Billy, D., Rougeau, N., Sidis, V., & Briddon, P. R. (2010). Enhanced H-2 catalytic formation on specific topological defects in interstellar graphenic dust grain models. PHYSICAL REVIEW B, 82(24), 245407.
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Ivanovskaya, V. V., Zobelli, A., Teillet-Billy, D., Rougeau, N., Sidis, V., & Briddon, P. R. (2010). Hydrogen adsorption on graphene: a first principles study. EUROPEAN PHYSICAL JOURNAL B, 76(3), 481–486.
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Matar, E., Bergeron, H., Dulieu, F., Chaabouni, H., Accolla, M., & Lemaire, J. L. (2010). Gas temperature dependent sticking of hydrogen on cold amorphous water ice surfaces of interstellar interest. JOURNAL OF CHEMICAL PHYSICS, 133(10), 104507.
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Morisset, S., Ferro, Y., & Allouche, A. (2010). Study of the sticking of a hydrogen atom on a graphite surface using a mixed classical-quantum dynamics method. JOURNAL OF CHEMICAL PHYSICS, 133(4), 044508.
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Nave, S., & Jackson, B. (2010). Vibrational mode-selective chemistry: Methane dissociation on Ni(100). PHYSICAL REVIEW B, 81(23), 233408.
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Nave, S., Tiwari, A. K., & Jackson, B. (2010). Methane dissociation and adsorption on Ni(111), Pt(111), Ni(100), Pt(100), and Pt(110)-(1x2): Energetic study. JOURNAL OF CHEMICAL PHYSICS, 132(5).
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Sizun, M., Bachellerie, D., Aguillon, F., & Sidis, V. (2010). Investigation of ZPE and temperature effects on the Eley-Rideal recombination of hydrogen atoms on graphene using a multidimensional graphene-H-H potential. CHEMICAL PHYSICS LETTERS, 498(1-3), 32–37.
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Teillet-Billy, D., Rougeau, N., Ivanovskaya, V. V., & Sidis, V. (2010). Interaction of Atoms with Graphenic-Type Surfaces for the Chemistry of the Interstellar Medium: New Properties of H Dimers on the Surface. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 110(12), 2231–2236.
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Tiwari, A. K., Nave, S., & Jackson, B. (2010). The temperature dependence of methane dissociation on Ni(111) and Pt(111): Mixed quantum-classical studies of the lattice response. JOURNAL OF CHEMICAL PHYSICS, 132(13), 134702.
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2009

Bachellerie, D., Sizun, M., Aguillon, F., & Sidis, V. (2009). Effects of a Nonrigid Graphene Surface on the LH Associative Desorption of H Atoms and on the Deexcitation of Nascent H-2 Molecules Colliding with Model Walls of Carbonaceous Porous Material. JOURNAL OF PHYSICAL CHEMISTRY A, 113(1), 108–117.
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Bachellerie, D., Sizun, M., Aguillon, F., Teillet-Billy, D., Rougeau, N., & Sidis, V. (2009). Unrestricted study of the Eley-Rideal formation of H-2 on graphene using a new multidimensional graphene-H-H potential: role of the substrate. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 11(15), 2715–2729.
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Morisset, S., Ferro, Y., & Allouche, A. (2009). Isotopic effects in the sticking of H and D atoms on the (0001) graphite surface. CHEMICAL PHYSICS LETTERS, 477(1-3), 225–229.
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Nave, S., & Jackson, B. (2009). Methane dissociation on Ni(111) and Pt(111): Energetic and dynamical studies. JOURNAL OF CHEMICAL PHYSICS, 130(5).
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Tiwari, A. K., Nave, S., & Jackson, B. (2009). Methane Dissociation on Ni(111): A New Understanding of the Lattice Effect. PHYSICAL REVIEW LETTERS, 103(25), 253201.
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2008

Abouaf, R., & Teillet-Billy, D. (2008). Low energy electron collisions in H2S and H2Se: Structure in dissociative attachment cross-sections. INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, 277(1-3), 79–83.
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Abouaf, R., Ptasinska, S., & Teillet-Billy, D. (2008). Low energy electron impact on gas phase 5-nitrouracil. CHEMICAL PHYSICS LETTERS, 455(4-6), 169–173.
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Bergeron, H., Rougeau, N., Sidis, V., Sizun, M., Teillet-Billy, D., & Aguillon, F. (2008). OH Formation from O and H Atoms Physisorbed on a Graphitic Surface through the Langmuir-Hinshelwood Mechanism: A Quasi-Classical Approach. JOURNAL OF PHYSICAL CHEMISTRY A, 112(46), 11921–11930.
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Ferro, Y., Teillet-Billy, D., Rougeau, N., Sidis, V., Morisset, S., & Allouche, A. (2008). Stability and magnetism of hydrogen dimers on graphene. PHYSICAL REVIEW B, 78(8), 085417.
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Morisset, S., & Allouche, A. (2008). Quantum dynamic of sticking of a H atom on a graphite surface. JOURNAL OF CHEMICAL PHYSICS, 129(2).
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