• 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. 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 5¹Σ_u⁺ and 5¹Π_µ states of Rb2 by polarization labelling spectroscopy. The Journal of chemical physics, 143(4), p.044308. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. DOI:10.1093/gbe/evv005, [ImpactFactor: 4.229 | H index: 39 | SJR 2014: 3.006]

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