===== Publications 2010 =====

  * **Freytag, B., Allard, F., Ludwig, H.-G., Homeier, D., Steffen, M.** - 2010. //The role of convection, overshoot, and gravity waves for the transport of dust in M dwarf and brown dwarf atmospheres.// Astronomy and Astrophysics 513, A19.

  * **E.Salager, G.M.Day, R.Stein, C.J.Pickard, B.Elena, L.Emsley**, Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR, J. Am. Chem. Soc. 132, 2564 (2010)

  * **J.-N.Dumez, M.C.Butler and L.Emsley**, Numerical simulation of free evolution in solid-state NMR using low order correlations in Liouville space, J. Chem. Phys. 133, 224501 (2010).

  * **J.-N.Dumez, M.C.Butler, E.Salager, B.Elena-Herrmann L.Emsley**, Ab initio simulation of proton spin diffusion, Chem. Phys. 12, 9172 (2010).

  * **Raphael Wischert, Christophe Copéret, Françoise Delbecq, Philippe Sautet** [[http://dx.doi.org/10.1002/cctc.201000066|Revisiting the Structure of Methyltrioxorhenium Chemisorbed on Alumina]], Chem. Cat. Chem. 2010, 2, 812-815.

  * **Marco Delgado, Catherine C. Santini, Franoise Delbecq, Raphael Wischert, Boris Le Guennic, Géraldine Tosin, Roger Spitz, Jean-Marie Basset, Philippe Sautet** [[http://dx.doi.org/10.1021/jp104999n|Alumina as a Simultaneous Support and Co Catalyst: Cationic Hafnium Complex Evidenced by Experimental and DFT Analyses]], J. Phys. Chem. C. 2010, 114, 18516-18528.

  * **A. Cahuzac, J. Boudet, P. Borgnat and E. Leveque** [[http://link.aip.org/link/?PHF/22/125104|Smoothing algorithms for the mean-flow extraction in large-eddy simulation of complex turbulent flows]], Phys. Fluids 22, 125104, (2010).

  * **H. Ichikawa, S. Labrosse, and K. Kurita**  [[http://www.agu.org/journals/ABS/2010/2009JB006427.shtml|Direct numerical simulation of an iron rain in the magma ocean]]''", Journal of Geophysical Research, VOL. 115, B01404 (2010)

  * **A. Naso and A. Prosperetti**  [[http://iopscience.iop.org/1367-2630/12/3/033040/|The interaction between a solid particle and a turbulent flow]], New J. Phys. 12, 033040 (2010)

  * **Muniyandi Nagarajan, Jean-Baptiste Veyrieras, Maud de Dieuleveult, Hélène Bottin, Steffen Fehrmann, Anne-Laure Abraham, Séverine Croze, Lars M. Steinmetz, Xavier Gidrol, Gaël Yvert**  [[http://www.plosgenetics.org|Natural Single-Nucleosome Epi-Polymorphisms in Yeast]], PLoS Genetics, VOL. 6, e1000913 (2010)

  * **Atieh, Z. and Allouche, A. R. and Aubert-Frecon, M.**  [[http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6TGT-4Y65S80-4&_user=617580&_coverDate=04%2F15%2F2010&_rdoc=1&_fmt=high&_orig=search&_origin=search&_sort=d&_docanchor=&view=c&_searchStrId=1512262509&_rerunOrigin=google&_acct=C000032598&_version=1&_urlVersion=0&_userid=617580&md5=9c1e5b600d75878d1350bf5e7f6e902d&searchtype=a|DFT calculations of isomer effects upon NMR spin-Hamiltonian parameters of prostate polyamines]], Journal of Molecular Structure-Theochem, 945, 104-109 (2010)

  * **A. Racaud, A.R. Allouche, R. Antoine, J. Lemoine, P. Dugourd**  [[http://dx.doi.org/10.1016/j.theochem.2010.08.024|UV electronic excitations in acidic sugars]],Journal of Molecular Structure: Theochem DOI  (2010)

  * **Jost, D. and Everaers, R.**  [[http://www.ncbi.nlm.nih.gov/pubmed/20210413|Prediction of RNA multi-loop and pseudoknot conformations from a lattice-based, coarse-grain tertiary structure model]], J. Chem. Phys. 132, 095101.

  * **M. Harb, F. Rabilloud, D. Simon**  [[http://www.rsc.org/Publishing/Journals/CP/article.asp?doi=b912971e|Structural, electronic, magnetic and optical properties of icosahedral silver-nickel nanoclusters]], Physical Chemistry Chemical Physics, 12, 4246-4254 (2010)

  * **F. Rabilloud, M. Harb, H. Ndome, P. Archirel**  [[http://pubs.acs.org/doi/abs/10.1021/jp912117q|UV-visible absorption spectra of small carbonylated platinum complexes and particles: a DFT study]], The Journal of Physical Chemistry A, 114, 6451 (2010)

  * **F. Rabilloud**  [[http://pubs.acs.org/doi/full/10.1021/jp103124w|Structure and Electronic Properties of Alkali−C60 Nanoclusters]], The Journal of Physical Chemistry A, 114, 7241 (2010)

  * **J. Hernandez-Rojas, F. Calvo, F. Rabilloud, J. Breton, J. M. Gomez Llorente**  [[http://pubs.acs.org/doi/abs/10.1021/jp101584n|Modeling water clusters on cationic carbonaceous seeds]], The Journal of Physical Chemistry A, 114, 7267 (2010)

  * **J. Haubrich, D. Loffreda, F. Delbecq, P. Sautet, Y. Jugnet, C. Becker, K. Wandelt**  [[http://pubs.acs.org/journal/jpccck|Adsorption and Vibrations of alpha-beta Unsaturated Aldehydes on Pt(111) and Pt-Sn alloys (111) Surfaces. III. Adsorption Energy vs Adsorption Strength]], J. Phys. Chem. C 114, 1073-1084 (2010).

  * **F. Delbecq, D. Loffreda, P. Sautet**  [[http://pubs.acs.org/journal/jpccck|Heterogeneous Catalytic Hydrogenation: Is Double Bond/Surface Coordination Necessary ?]],J. Phys. Chem. Lett., 1, 323-326 (2010)

  * **F. Vigné, J. Haubrich, D. Loffreda, P. Sautet, F. Delbecq**  [[http://www.sciencedirect.com/science/journal/00219517|Highly selective hydrogenation of butadiene on Pt/Sn alloy elucidated by first-principles calculations]], J. Catal, 275, 129-139, 2010

  * **C. Dupont, Y. Jugnet, F. Delbecq, D. Loffreda**  [[http://www.sciencedirect.com/science/journal/00219517|Mediatory role of tin in the catalytic performance of tailored platinum-tin alloy surfaces for carbon monoxide oxidation]], J. Catal, vol. 273, 211-220(2010).

  * **E. Dumont, A. D. Laurent and X. Assfeld**  [[http://pubs.acs.org/doi/abs/10.1021/jz900214e|Intersulfur distance is a key factor tuning disulfide radical anions vertical UV-Visible absorption.]], J. Phys. Chem. Lett., 1, 581-586, 2010.

  * **L. Chevillard, R. Robert and V. Vargas**  [[http://arxiv.org/abs/0906.5225|A Stochastic Representation of the Local Structure of Turbulence]], EPL 89, 54002, 2010.

  * **Rajpurohit, A.~S., Reylé, C., Schultheis, M., Allard, F.** - 2010. //Validation of M-dwarf atmosphere models and effective temperature scale of M dwarfs.// SF2A-2010: Proceedings of the Annual meeting of the French Society of Astronomy and Astrophysics 275.

  * **Vigan, A., Moutou, C., Langlois, M., Allard, F., Boccaletti, A., Carbillet, M., Mouillet, D., Smith, I.** - 2010. //Exoplanet characterization using angular and spectral differential imaging.// SF2A-2010: Proceedings of the Annual meeting of the French Society of Astronomy and Astrophysics 93.

  * **Allard, F., Freytag, B.** - 2010. //Brown Dwarf Model Atmospheres Based on Multi-Dimensional Radiation Hydrodynamics.// Highlights of Astronomy 15, 756-756.

  * **Allard, F.** - 2010. //Modelling extrasolar planetary atmospheres.// Highlights of Astronomy 15, 695-696.

  * **Allard, F., Baraffe, I.** - 2010. //SpS1-The evolution of brown dwarf infrared spectroscopic properties.// Highlights of Astronomy 15, 543-544.

  * **Freytag, B., and 10 colleagues** - 2010. //CO5BOLD: COnservative COde for the COmputation of COmpressible COnvection in a BOx of L Dimensions with l=2,3.// Astrophysics Source Code Library 11014.

  * **Lucas, P.~W., and 16 colleagues** - 2010. //The discovery of a very cool, very nearby brown dwarf in
the Galactic plane.// Monthly Notices of the Royal Astronomical Society 408, L56-L60.

  * **Vigan, A., Moutou, C., Langlois, M., Allard, F., Boccaletti, A., Carbillet, M., Mouillet, D., Smith, I.** - 2010. //Photometric characterization of exoplanet using angular and spectral differential imaging in SPHERE/IRDIS.//  In the Spirit of Lyot 2010 .

  * **Vigan, A., Moutou, C., Langlois, M., Allard, F., Boccaletti, A., Carbillet, M., Mouillet, D., Smith, I.** - 2010. //Photometric characterization of exoplanets using angular and spectral differential imaging.// Monthly Notices of the Royal Astronomical Society 407, 71-82.

  * **Sordo, R., and 19 colleagues** - 2010. //Synthetic stellar and SSP libraries as templates for Gaia simulations.// Astrophysics and Space Science 328, 331-335.

  * **Delorme, P., and 10 colleagues** - 2010. //Extending the Canada-France brown dwarfs survey to the near-infrared: first ultracool brown dwarfs from CFBDSIR.// Astronomy and Astrophysics 518, A39.

  * **Vallenari, A., and 19 colleagues** - 2010. //Synthetic Stellar libraries and SSP simulations in the Gaia Era.// IAU Symposium 262, 444-445.