===== Publications 2015 ===== ==== Statistiques des journaux ==== * [[http://www.scimagojr.com/help.php#rank_journals|H index des journaux ]] {{:science:publications:plot_2015_hindex-1.png?direct&310|}} * [[https://www.scijournal.org/|Facteur d'impact des journaux.]] {{:science:publications:plot_2015_if-1.png?direct&310|}} * [[http://www.scimagojr.com/help.php#rank_journals|Scientific Journal Ranking.]] {{ :science:publications:plot_2015_sjr-1.png?direct&310 | SJR des journaux}} * Liste des journaux ==== Liste des publications ==== * **Touhami, A., Chaabane, R.B. and Allouche, A.R.**, 2015. Theoretical investigation on electronic, optical, and charge transport properties of new anthracene derivatives. **//Computational and Theoretical Chemistry//**, 1073, pp.123-130. [[https://www.sciencedirect.com/science/article/pii/S2210271X15003898|DOI: 10.1016/j.comptc.2015.09.024 ]], [ImpactFactor: 1.545 | H index: 75 | SJR 2014: 0.484] * **Jastrzebski, W., Kowalczyk, P., Szczepkowski, J., Allouche, A.R., Crozet, P. and Ross, A.J.**, 2015. High-lying electronic states of the rubidium dimer—Ab initio predictions and experimental observation of the 51Σu+ and 51Πµ states of Rb2 by polarization labelling spectroscopy. **//The Journal of chemical physics//**, 143(4), p.044308. [[http://aip.scitation.org/doi/full/10.1063/1.4927225|DOI: 10.1063/1.4927225 ]] , [ImpactFactor: 2.952 | H index: 286 | SJR 2014: 1.386] * **Barnes, L., Schindler, B., Allouche, A.R., Simon, D., Chambert, S., Oomens, J. and Compagnon, I.**, 2015. Anharmonic simulations of the vibrational spectrum of sulfated compounds: application to the glycosaminoglycan fragment glucosamine 6-sulfate. **//Physical Chemistry Chemical Physics//**, 17(39), pp.25705-25713. [[http://pubs.rsc.org/-/content/articlehtml/2015/cp/c5cp02079d|DOI: 10.1039/C5CP02079D ]] , [ImpactFactor: 4.493 | H index: 175 | SJR 2014: 1.772] * **Ferreira de Morais, R., Franco, A.A., Sautet, P. and Loffreda, D.**, 2015. Interplay between reaction mechanism and hydroxyl species for water formation on Pt (111). **//ACS Catalysis//**, 5(2), pp.1068-1077. [[http://pubs.acs.org/doi/abs/10.1021/cs5012525|DOI:10.1021/cs5012525]], [ImpactFactor: 9.312 | H index: 67 | SJR 2014: 3.734] * **De Morais, R.F., Franco, A.A., Sautet, P. and Loffreda, D.**, 2015. Coverage-dependent thermodynamic analysis of the formation of water and hydrogen peroxide on a platinum model catalyst. **//Physical Chemistry Chemical Physics//**, 17(17), pp.11392-11400. [[http://pubs.rsc.org/en/Content/ArticleLanding/2015/CP/C4CP03755C#!divAbstract|DOI:10.1039/C4CP03755C]], [ImpactFactor: 4.493 | H index: 157 | SJR 2014: 1.827] * **Calle-Vallejo, F., Loffreda, D., Koper, M.T. and Sautet, P.**, 2015. Introducing structural sensitivity into adsorption–energy scaling relations by means of coordination numbers. **//Nature chemistry//**, 7(5), pp.403-410. [[http://www.nature.com/nchem/journal/v7/n5/abs/nchem.2226.html|DOI:10.1038/nchem.2226]], [ImpactFactor: 25.325 | H index: 124 | SJR 2014: 10.808] * **Calle-Vallejo, F., Tymoczko, J., Colic, V., Vu, Q.H., Pohl, M.D., Morgenstern, K., Loffreda, D., Sautet, P., Schuhmann, W. and Bandarenka, A.S.**, 2015. Finding optimal surface sites on heterogeneous catalysts by counting nearest neighbors. **//Science//**, 350(6257), pp.185-189. [[http://science.sciencemag.org/content/350/6257/185|DOI:10.1126/science.aab3501]], [ImpactFactor: 33.61 | H index: 915 | SJR 2014: 12.121] * **Filleton, F., Chuffart, F., Nagarajan, M., Bottin-Duplus, H. and Yvert, G.**, 2015. The complex pattern of epigenomic variation between natural yeast strains at single-nucleosome resolution. **//Epigenetics & chromatin//**, 8(1), p.26. [[https://epigeneticsandchromatin.biomedcentral.com/articles/10.1186/s13072-015-0019-3|DOI:10.1186/s13072-015-0019-3]] , [ImpactFactor: 5.333 | H index: 26 | SJR 2014: 4.451] * **Kaya, O. and Uçar, B.**, 2015, November. Scalable sparse tensor decompositions in distributed memory systems. **//In Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis//** (p. 77). ACM. [[http://dl.acm.org/citation.cfm?id=2807624|DOI:10.1145/2807591.2807624]] * **Laurie, J. and Bouchet, F.**, 2015. Computation of rare transitions in the barotropic quasi-geostrophic equations. **//New Journal of Physics//**, 17(1), p.015009. [[http://iopscience.iop.org/article/10.1088/1367-2630/17/1/015009/meta|DOI:10.1088/1367-2630/17/1/015009]], [ImpactFactor: 3.558 | H index: 96 | SJR 2014: 2.587] * **de Parny, L.D.F., Rousseau, V.G. and Roscilde, T.**, 2015. Feshbach-Stabilized Insulator of Bosons in Optical Lattices. **//Physical review letters//**, 114(19), p.195302. [[https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.114.195302|DOI:10.1103/PhysRevLett.114.195302]], [ImpactFactor: 7.512 | H index: 471 | SJR 2014: 5.147] * **Filleton, F., Chuffart, F., Nagarajan, M., Bottin-Duplus, H. and Yvert, G.**, 2015. The complex pattern of epigenomic variation between natural yeast strains at single-nucleosome resolution. **//Epigenetics & chromatin//**, 8(1), p.26. [[https://epigeneticsandchromatin.biomedcentral.com/articles/10.1186/s13072-015-0019-3|DOI:10.1186/s13072-015-0019-3]], [ImpactFactor: 5.333 | H index: 26 | SJR 2014: 4.451] * **Gautier, S., Steinmann, S.N., Michel, C., Fleurat-Lessard, P. and Sautet, P.**, 2015. Molecular adsorption at Pt (111). How accurate are DFT functionals?. **//Physical Chemistry Chemical Physics//**, 17(43), pp.28921-28930. [[http://pubs.rsc.org/en/Content/ArticleLanding/2015/CP/C5CP04534G#!divAbstract|DOI:10.1039/C5CP04534G]], [ImpactFactor: 4.493 | H index: 157 | SJR 2014: 1.821] * **Steinmann, S.N., Michel, C., Schwiedernoch, R. and Sautet, P.**, 2015. Impacts of electrode potentials and solvents on the electroreduction of CO 2: a comparison of theoretical approaches. **//Physical Chemistry Chemical Physics//**, 17(21), pp.13949-13963. [[http://pubs.rsc.org/en/Content/ArticleLanding/2015/CP/C5CP00946D#!divAbstract|DOI:10.1039/C5CP00946D]], [ImpactFactor: 4.493 | H index: 157 | SJR 2014: 1.821] * **Steinmann, S.N., Michel, C., Schwiedernoch, R., Filhol, J.S. and Sautet, P.**, 2015. Modeling the HCOOH/CO2 Electrocatalytic Reaction: When Details Are Key. **//ChemPhysChem//**, 16(11), pp.2307-2311. [[http://onlinelibrary.wiley.com/doi/10.1002/cphc.201500187/full|DOI:10.1002/cphc.201500187]], [ImpactFactor: 3.419 | H index: 105 | SJR 2014: 1.402] * **Daly, S., Kulesza, A., Poussigue, F., Simon, A.L., Choi, C.M., Knight, G., Chirot, F., MacAleese, L., Antoine, R. and Dugourd, P.**, 2015. Conformational changes in amyloid-beta (12–28) alloforms studied using action-FRET, IMS and molecular dynamics simulations. **//Chemical Science//**, 6(8), pp.5040-5047. [[http://pubs.rsc.org/en/content/articlelanding/sc/2015/c5sc01463h#!divAbstract|DOI:10.1039/C5SC01463H]], [ImpactFactor: 9.211 | H index: 79 | SJR 2014: 5.124] * **Kulesza, A., Daly, S., MacAleese, L., Antoine, R. and Dugourd, P.**, 2015. Structural exploration and Förster theory modeling for the interpretation of gas-phase FRET measurements: Chromophore-grafted amyloid-β peptides. **//The Journal of chemical physics//**, 143(2), p.07B607_1. [[http://aip.scitation.org/doi/abs/10.1063/1.4926390|DOI:10.1063/1.4926390]], [ImpactFactor: 2.952 | H index: 263 | SJR 2014: 1.38] * **Daly, S., Kulesza, A., Knight, G., MacAleese, L., Antoine, R. and Dugourd, P.**, 2015. Visible and ultraviolet spectroscopy of gas phase rhodamine 575 cations. **//The Journal of Physical Chemistry A//**, 119(22), pp.5634-5641. [[http://pubs.acs.org/doi/abs/10.1021/acs.jpca.5b03187|DOI:10.1021/acs.jpca.5b03187]], [ImpactFactor: 2.693 | H index: 186 | SJR 2014: 1.186] * **Lozano, A., Shen, X.J., Moiraghi, R., Dong, W. and Busnengo, H.F.**, 2015. Cutting a chemical bond with demon's scissors: Mode-and bond-selective reactivity of methane on metal surfaces. **//Surface Science//**, 640, pp.25-35. [[http://www.sciencedirect.com/science/article/pii/S0039602815000916|DOI:10.1016/j.susc.2015.04.002]], [ImpactFactor: 1.925 | H index: 116 | SJR 2014: 0.844] * **Linas, S., Magnin, Y., Poinsot, B., Boisron, O., Förster, G.D., Martinez, V., Fulcrand, R., Tournus, F., Dupuis, V., Rabilloud, F. and Bardotti, L.**, 2015. Interplay between Raman shift and thermal expansion in graphene: Temperature-dependent measurements and analysis of substrate corrections. **//Physical Review B//**, 91(7), p.075426. [[https://journals.aps.org/prb/abstract/10.1103/PhysRevB.91.075426|DOI:10.1103/PhysRevB.91.075426]], [ImpactFactor: 3.736 | H index: 327 | SJR 2014: 2.667] * **Bousquet, B., Cherif, M., Huang, K. and Rabilloud, F.**, 2015. Absorption spectra of aryl thiol-coated silver nanoclusters: a time-dependent density-functional study. **//The Journal of Physical Chemistry C//**, 119(8), pp.4268-4277. [[http://pubs.acs.org/doi/abs/10.1021/jp512209p|DOI:10.1021/jp512209p]], [ImpactFactor: 4.772 | H index: 176 | SJR 2014: 2.081] * **Förster, G.D., Rabilloud, F. and Calvo, F.**, 2015. Atomistic modeling of epitaxial graphene on Ru (0001) and deposited ruthenium nanoparticles. **//Physical Review B//**, 92(16), p.165425. [[https://journals.aps.org/prb/abstract/10.1103/PhysRevB.92.165425|DOI:10.1103/PhysRevB.92.165425]], [ImpactFactor: 3.513 | H index: 327 | SJR 2014: 2.667] * **Förster, G.D., Rabilloud, F. and Calvo, F.**, 2015. Adsorption of metal nanoparticles on carbon substrates and epitaxial graphene: Assessing models for dispersion forces. **//Physical Review B//**, 91(24), p.245433. [[https://journals.aps.org/prb/abstract/10.1103/PhysRevB.91.245433|DOI:10.1103/PhysRevB.91.245433]], [ImpactFactor: 3.513 | H index: 327 | SJR 2014: 2.667] * **Drink, E., Dugourd, P., Dumont, E., Aronssohn, N., Antoine, R. and Loison, C.**, 2015. Optical properties of prodigiosin and obatoclax: action spectroscopy and theoretical calculations. **//Physical Chemistry Chemical Physics//**, 17(39), pp.25946-25955. [[http://pubs.rsc.org/en/Content/ArticleLanding/2015/CP/C5CP01498K#!divAbstract|DOI:10.1039/C5CP01498K]], [ImpactFactor: 4.493 | H index: 157 | SJR 2014: 1.821] * **Boţan, A., Joly, L., Fillot, N. and Loison, C.**, 2015. Mixed mechanism of lubrication by lipid bilayer stacks. **//Langmuir//**, 31(44), pp.12197-12202. [[http://pubs.acs.org/doi/abs/10.1021/acs.langmuir.5b02786|DOI:10.1021/acs.langmuir.5b02786]], [ImpactFactor: 4.467 | H index: 252 | SJR 2014: 1.858] * **Botan, A., Favela-Rosales, F., Fuchs, P.F., Javanainen, M., Kanduč, M., Kulig, W., Lamberg, A., Loison, C., Lyubartsev, A., Miettinen, M.S. and Monticelli, L.**, 2015. Toward atomistic resolution structure of phosphatidylcholine headgroup and glycerol backbone at different ambient conditions. **//The Journal of Physical Chemistry B//**, 119(49), pp.15075-15088. [[http://pubs.acs.org/doi/abs/10.1021/acs.jpcb.5b04878|DOI:10.1021/acs.jpcb.5b048]],[ImpactFactor: 3.302 | H index: 314 | SJR 2014: 1.474] * **Le Bahers, T., Haller, S., Le Mercier, T. and Barboux, P.**, 2015. Assessing the use of BiCuOS for photovoltaic application: from DFT to macroscopic simulation. **//The Journal of Physical Chemistry C//**, 119(31), pp.17585-17595. [[http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.5b05551|DOI:10.1021/acs.jpcc.5b05551]], [ImpactFactor: 4.772 | H index: 176 | SJR 2014: 2.081] * **Melissen, S., Le Bahers, T., Steinmann, S.N. and Sautet, P.**, 2015. Relationship between carbon nitride structure and exciton binding energies: A DFT perspective. **//The Journal of Physical Chemistry C//**, 119(45), pp.25188-25196. [[http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.5b07059|DOI:10.1021/acs.jpcc.5b07059]], [ImpactFactor: 4.772 | H index: 176 | SJR 2014: 2.081] * **Armisén, D., Refki, P.N., Crumière, A.J.J., Viala, S., Toubiana, W. and Khila, A.**, 2015. Predator strike shapes antipredator phenotype through new genetic interactions in water striders. **//Nature communications//**, 6. [[http://www.nature.com/articles/ncomms9153|DOI:10.1038/ncomms9153]], [ImpactFactor: 11.329 | H index: 114 | SJR 2014: 6.399] * **Lam, J., Amans, D., Dujardin, C., Ledoux, G. and Allouche, A.R.**, 2015. Atomistic mechanisms for the nucleation of aluminum oxide nanoparticles. **//The Journal of Physical Chemistry A//**, 119(33), pp.8944-8949. [[http://pubs.acs.org/doi/abs/10.1021/acs.jpca.5b05829|DOI:10.1021/acs.jpca.5b05829]], [ImpactFactor: 2.693 | H index: 186 | SJR 2014: 1.186] * **Melissen, S.T.A.G., Labat, F., Sautet, P. and Le Bahers, T.**, 2015. Electronic properties of PbX 3 CH 3 NH 3 (X= Cl, Br, I) compounds for photovoltaic and photocatalytic applications. **//Physical Chemistry Chemical Physics//**, 17(3), pp.2199-2209. [[http://pubs.rsc.org/en/Content/ArticleLanding/2015/CP/C4CP04666H#!divAbstract| DOI:10.1039/C4CP04666H]], [ImpactFactor: 4.493 | H index: 157 | SJR 2014: 1.821] * **Laurie, J. and Bouchet, F.**, 2015. Computation of rare transitions in the barotropic quasi-geostrophic equations. **//New Journal of Physics//**, 17(1), p.015009. [[http://iopscience.iop.org/article/10.1088/1367-2630/17/1/015009/meta|DOI:10.1088/1367-2630/17/1/015009]], [ImpactFactor: 3.558 | H index: 96 | SJR 2014: 2.587] * **Bousquet, B., Cherif, M., Huang, K. and Rabilloud, F.**, 2015. Absorption spectra of aryl thiol-coated silver nanoclusters: a time-dependent density-functional study. **//The Journal of Physical Chemistry C//**, 119(8), pp.4268-4277. [[http://pubs.acs.org/doi/abs/10.1021/jp512209p|DOI:10.1021/jp512209p]], [ImpactFactor: 4.772 | H index: 176 | SJR 2014: 2.081] * **Voßkuhle, M., Pumir, A., Lévêque, E. and Wilkinson, M.**, 2015. Collision rate for suspensions at large Stokes numbers–comparing Navier–Stokes and synthetic turbulence. **//Journal of Turbulence//**, 16(1), pp.15-25. [[http://www.tandfonline.com/doi/abs/10.1080/14685248.2014.948628|DOI:10.1080/14685248.2014.948628]], [ImpactFactor: 1.56 | H index: 33 | SJR 2014: 0.596] * **Chalopin, D., Naville, M., Plard, F., Galiana, D. and Volff, J.N.**, 2015. Comparative analysis of transposable elements highlights mobilome diversity and evolution in vertebrates. **//Genome biology and evolution//**, 7(2), pp.567-580. [[https://academic.oup.com/gbe/article/7/2/567/629498/Comparative-Analysis-of-Transposable-Elements|DOI:10.1093/gbe/evv005]], [ImpactFactor: 4.229 | H index: 39 | SJR 2014: 3.006] ==== Liste des journaux ==== 1 ACS Catalysis\\ 1 Chemical Science\\ 1 ChemPhysChem\\ 1 Computational and Theoretical Chemistry\\ 2 Epigenetics & chromatin\\ 1 Genome biology and evolution\\ 1 In Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis\\ 1 Journal of Turbulence\\ 1 Langmuir\\ 1 Nature chemistry\\ 1 Nature communications\\ 2 New Journal of Physics\\ 6 Physical Chemistry Chemical Physics\\ 3 Physical Review B\\ 1 Physical review letters\\ 1 Science\\ 1 Surface Science\\ 2 The Journal of chemical physics\\ 2 The Journal of Physical Chemistry A\\ 1 The Journal of Physical Chemistry B\\ 4 The Journal of Physical Chemistry C\\ ----\\ 35\\