Publications 2016

Statistiques des journaux

Liste des publications

  • Curutchet Antton, Tangui Le Bahers. Modelling the S-Doped Sodalites Using DFT, TD-DFT and SAC-CI Methods. Inorganic Chemistry, American Chemical Society, 2016, 〈10.1021/acs.inorgchem.6b02323〉. 〈hal-01531569〉
  • Maurer P, Joubaud S, Odier P. Generation and stability of inertia–gravity waves. Journal of Fluid Mechanics. 2016 Dec;808:539-61. DOI: 10.1017/jfm.2016.635 , [ImpactFactor: 2.514 | H index: 170 | SJR 2015: 1.912]
  • de Morais, R.F., Kerber, T., Calle‐Vallejo, F., Sautet, P. and Loffreda, D., 2016. Capturing Solvation Effects at a Liquid/Nanoparticle Interface by Ab Initio Molecular Dynamics: Pt201 Immersed in Water. Small, 12(38), pp.5312-5319.DOI:10.1002/smll.201601307, [ImpactFactor: 8.32 | H index: 153 | SJR 2015: 3.401]
  • Ferreira de Morais, R., Franco, A.A., Sautet, P. and Loffreda, D., 2016. How Does the Surface Structure of Pt–Ni Alloys Control Water and Hydrogen Peroxide Formation?. ACS Catalysis, 6(9), pp.5641-5650. DOI:10.1021/acscatal.6b00842, [ImpactFactor: 9.307 | H index: 67 | SJR 2015: 4.208]
  • Iachella, M., Wilson, A., Naitabdi, A., Bernard, R., Prévot, G. and Loffreda, D., 2016. Promoter effect of hydration on the nucleation of nanoparticles: direct observation for gold and copper on rutile TiO 2 (110). Nanoscale, 8(36), pp.16475-16485. DOI:10.1039/C6NR02466A , [ImpactFactor: 7.76 | H index: 107 | SJR 2015: 2.967]
  • Delbecq, F., Li, Y. and Loffreda, D., 2016. Metal–support interaction effects on chemo–regioselectivity: Hydrogenation of crotonaldehyde on Pt 13/CeO 2 (111). Journal of Catalysis, 334, pp.68-78. DOI:10.1016/j.jcat.2015.10.028, [ImpactFactor: 7.354 | H index: 179 | SJR 2015: 2.807]
  • Jahnke, T., Futter, G., Latz, A., Malkow, T., Papakonstantinou, G., Tsotridis, G., Schott, P., Gérard, M., Quinaud, M., Quiroga, M. and Franco, A.A., 2016. Performance and degradation of Proton Exchange Membrane Fuel Cells: State of the art in modeling from atomistic to system scale. Journal of Power Sources, 304, pp.207-233. DOI:10.1016/j.jpowsour.2015.11.041, [ImpactFactor: 6.333 | H index: 211 | SJR 2015: 2.008]
  • Steinmann, S.N., Michel, C., Schwiedernoch, R., Wu, M. and Sautet, P., 2016. Electro-carboxylation of butadiene and ethene over Pt and Ni catalysts. Journal of Catalysis, 343, pp.240-247. DOI:10.1016/j.jcat.2016.01.008 [ImpactFactor: 7.364 | H index: 147 | SJR 2015: 2.807]
  • Göltl, F., Michel, C., Andrikopoulos, P.C., Love, A.M., Hafner, J., Hermans, I. and Sautet, P., 2016. Computationally Exploring Confinement Effects in the Methane-to-Methanol Conversion Over Iron-Oxo Centers in Zeolites. ACS Catalysis, 6(12), pp.8404-8409. DOI:10.1021/acscatal.6b02640 , [ImpactFactor: 9.307 | H index: 67 | SJR 2015: 4.208]
  • Monyoncho, E.A., Steinmann, S.N., Michel, C., Baranova, E.A., Woo, T.K. and Sautet, P., 2016. Ethanol Electro-oxidation on Palladium Revisited Using Polarization Modulation Infrared Reflection Absorption Spectroscopy (PM-IRRAS) and Density Functional Theory (DFT): Why Is It Difficult To Break the C–C Bond?. ACS Catalysis, 6(8), pp.4894-4906. DOI:10.1021/acscatal.6b00289, [ImpactFactor: 9.307 | H index: 67 | SJR 2015: 4.208]
  • Réocreux, R., Huynh, M., Michel, C. and Sautet, P., 2016. Controlling the Adsorption of Aromatic Compounds on Pt (111) with Oxygenate Substituents: From DFT to Simple Molecular Descriptors. The journal of physical chemistry letters, 7(11), pp.2074-2079. DOI:10.1021/acs.jpclett.6b00612, [ImpactFactor: 8.539 | H index: 98 | SJR 2015: 4.47]
  • Lemes, M.A., Pialat, A., Steinmann, S.N., Korobkov, I., Michel, C. and Murugesu, M., 2016. Study of a novel hepta-coordinated Fe III bimetallic complex with an unusual 1, 2, 4, 5-tetrazine-ring opening. Polyhedron, 108, pp.163-168. DOI:10.1016/j.poly.2015.11.024, [ImpactFactor: 2.108 | H index: 78 | SJR 2015: 0.592]
  • Steinmann, S.N., Sautet, P. and Michel, C., 2016. Solvation free energies for periodic surfaces: comparison of implicit and explicit solvation models. Physical Chemistry Chemical Physics, 18(46), pp.31850-31861. DOI:10.1039/C6CP04094B, [ImpactFactor: 4.449 | H index: 157 | SJR 2015: 1.836]
  • Zaffran, J., Michel, C., Delbecq, F. and Sautet, P., 2016. Towards more accurate prediction of activation energies for polyalcohol dehydrogenation on transition metal catalysts in water. Catalysis Science & Technology, 6(17), pp.6615-6624. DOI:10.1039/C6CY00865H , [ImpactFactor : 5.287 | H index 47 | SJR 2015 : 1.895]
  • Ruppert, A.M., Jędrzejczyk, M., Sneka-Płatek, O., Keller, N., Dumon, A.S., Michel, C., Sautet, P. and Grams, J., 2016. Ru catalysts for levulinic acid hydrogenation with formic acid as a hydrogen source. Green Chemistry, 18(7), pp.2014-2028. DOI:10.1039/C5GC02200B, [ImpactFactor: 8.506 | H index: 141 | SJR 2015: 2.571]
  • Holzer, G., Morishita, Y., Fini, J.B., Lorin, T., Gillet, B., Hughes, S., Tohmé, M., Deléage, G., Demeneix, B., Arvan, P. and Laudet, V., 2016. Thyroglobulin Represents a Novel Molecular Architecture of Vertebrates. Journal of Biological Chemistry, 291(32), pp.16553-16566. DOI:10.1074/jbc.M116.719047, [ImpactFactor: 4.258 | H index: 435 | SJR 2015: 3.151]
  • Lepeltier, M., Appaix, F., Liao, Y.Y., Dumur, F., Marrot, J., Le Bahers, T., Andraud, C. and Monnereau, C., 2016. Carbazole-Substituted Iridium Complex as a Solid State Emitter for Two-Photon Intravital Imaging. Inorganic Chemistry, 55(19), pp.9586-9595. DOI:10.1021/acs.inorgchem.6b01253, [ImpactFactor: 4.82 | H index: 182 | SJR 2015: 1.873]
  • Mettra, B., Appaix, F., Olesiak-Banska, J., Le Bahers, T., Leung, A., Matczyszyn, K., Samoc, M., van der Sanden, B., Monnereau, C. and Andraud, C., 2016. A Fluorescent Polymer Probe with High Selectivity toward Vascular Endothelial Cells for and beyond Noninvasive Two-Photon Intravital Imaging of Brain Vasculature. ACS applied materials & interfaces, 8(27), pp.17047-17059. DOI:10.1021/acsami.6b02936, [ImpactFactor: 7.145 | H index: 90 | SJR 2015: 2.831]
  • Rolland, J., Bouchet, F. and Simonnet, E., 2016. Computing transition rates for the 1-D stochastic Ginzburg–Landau–Allen–Cahn equation for finite-amplitude noise with a rare event algorithm. Journal of Statistical Physics, 162(2), pp.277-311. DOI:10.1007/s10955-015-1417-4 and arXiv:1507.05577 (2016). [ImpactFactor: 1.537 | H index: 80 | SJR 2015: 1.065]
  • Schindler, B., Renois-Predelus, G., Bagdadi, N., Melizi, S., Barnes, L., Chambert, S., Allouche, A.R. and Compagnon, I., 2016. MS/IR, a new MS-based hyphenated method for analysis of hexuronic acid epimers in glycosaminoglycans. Glycoconjugate Journal, pp.1-5. DOI:10.1007/s10719-016-9741-8 , [ImpactFactor: 1.828 | H index: 75 | SJR 2015: 0.747]
  • Jyothi, S., Ray, T., Dutta, S., Allouche, A.R., Vexiau, R., Dulieu, O. and Rangwala, S.A., 2016. Photodissociation of Trapped Rb 2+: Implications for Simultaneous Trapping of Atoms and Molecular Ions. Physical Review Letters, 117(21), p.213002. DOI:10.1103/PhysRevLett.117.213002, [ImpactFactor: 7.645 | H index: 471 | SJR 2015: 3.731]
  • Brouzet, C., Sibgatullin, I.N., Scolan, H., Ermanyuk, E.V. and Dauxois, T., 2016. Internal wave attractors examined using laboratory experiments and 3D numerical simulations. Journal of Fluid Mechanics, 793, pp.109-131. DOI:10.1017/jfm.2016.119 , [ImpactFactor: 2.514 | H index: 155 | SJR 2015: 1.45]
  • Barnes, L., Schindler, B., Compagnon, I. and Allouche, A.R., 2016. Fast and accurate hybrid QM/MM approach for computing anharmonic corrections to vibrational frequencies. Journal of molecular modeling, 22(11), p.285. DOI:10.1007/s00894-016-3135-5 , [ImpactFactor: 1.438 | H index: 50 | SJR 2015: 0.466]
  • Bouchet, F., Grafke, T., Tangarife, T. and Vanden-Eijnden, E., 2016. Large deviations in fast–slow systems. Journal of Statistical Physics, 162(4), pp.793-812. DOI:10.1007/s10955-016-1449-4, [ImpactFactor: 1.537 | H index: 80 | SJR 2015: 1.065]
  • Renaud, A., Venaille, A. and Bouchet, F., 2016. Equilibrium statistical mechanics and energy partition for the shallow water model. Journal of Statistical Physics, 163(4), pp.784-843. DOI:10.1007/s10955-016-1496-x, and arXiv:1505.01356(2016). [ImpactFactor: 1.537 | H index: 80 | SJR 2015: 1.065]
  • Bouchet, F. and Reygner, J., 2016, December. Generalisation of the Eyring–Kramers transition rate formula to irreversible diffusion processes. In Annales Henri Poincaré (Vol. 17, No. 12, pp. 3499-3532). Springer International Publishing. DOI:10.1007/s00023-016-0507-4 and arXiv:1507.02104(2016). [ImpactFactor: 1.760 | H index: 32 | SJR 2015: 1.377]
  • Bouchet, F., Gawȩdzki, K. and Nardini, C., 2016. Perturbative calculation of quasi-potential in non-equilibrium diffusions: a mean-field example. Journal of Statistical Physics, 163(5), pp.1157-1210. DOI:10.1007/s10955-016-1503-2 and arXiv:1509.03273(2016). [ImpactFactor: 1.537 | H index: 80 | SJR 2015: 1.065]
  • Wouters, J. and Bouchet, F., 2016. Rare event computation in deterministic chaotic systems using genealogical particle analysis. Journal of Physics A: Mathematical and Theoretical, 49(37), p.374002. DOI:10.1088/1751-8113/49/37/374002 and arXiv:1511.02703(2016). [ImpactFactor: 1.933 | H index: 106 | SJR 2015: 0.881]
  • Nemoto, T., Bouchet, F., Jack, R.L. and Lecomte, V., 2016. Population-dynamics method with a multicanonical feedback control. Physical Review E, 93(6), p.062123. DOI:10.1103/PhysRevE.93.062123 and arXiv:1601.06648(2016). [ImpactFactor: 2.288 | H index: 177 | SJR 2015: 0.999]
  • E. Woillez and F Bouchet, Computation of Reynolds stresses for barotropic turbulent jets from first principles, arXiv:1609.00603(2016)
  • Demoulin, B., El-Tahawy, M.M., Nenov, A., Garavelli, M. and Le Bahers, T., 2016. Intramolecular photo-induced charge transfer in visual retinal chromophore mimics: electron density-based indices at the TD-DFT and post-HF levels. Theoretical Chemistry Accounts, 135(4), pp.1-10. DOI:10.1007/s00214-016-1815-y , [ImpactFactor: 1.806 | H index: 85 | SJR 2015: 0.434]
  • Nurlaela, E., Wang, H., Shinagawa, T., Flanagan, S., Ould-Chikh, S., Qureshi, M., Mics, Z., Sautet, P., Le Bahers, T., Canovas, E. and Bonn, M., 2016. Enhanced kinetics of hole transfer and electrocatalysis during photocatalytic oxygen evolution by cocatalyst tuning. ACS Catalysis, 6(7), pp.4117-4126. DOI:10.1021/acscatal.6b00508 , [ImpactFactor: 9.307 | H index: 67 | SJR 2015: 4.208 ]
  • Cordier, D., Cornet, T., Barnes, J.W., MacKenzie, S.M., Le Bahers, T., Nna-Mvondo, D., Rannou, P. and Ferreira, A.G., 2016. Structure of Titan’s evaporites. Icarus, 270, pp.41-56. DOI:10.1016/j.icarus.2015.12.034, [ImpactFactor: 3.383 | H index: 117 | SJR 2015: 2.447]
  • Melissen, S.T., Steinmann, S.N., Le Bahers, T. and Sautet, P., 2016. DFT Perspective on the Thermochemistry of Carbon Nitride Synthesis. The Journal of Physical Chemistry C, 120(43), pp.24542-24550. DOI:10.1021/acs.jpcc.6b06335 , [ImpactFactor: 4.509 | H index: 176 | SJR 2015: 1.995]
  • Petit, S., Melissen, S.T., Duclaux, L., Sougrati, M.T., Le Bahers, T., Sautet, P., Dambournet, D., Borkiewicz, O., Laberty-Robert, C. and Durupthy, O., 2016. How Should Iron and Titanium be Combined in Oxides to Improve Photoelectrochemical Properties?. The Journal of Physical Chemistry C, 120(43), pp.24521-24532. DOI:10.1021/acs.jpcc.6b05794 , [ImpactFactor: 4.509 | H index: 176 | SJR 2015: 1.995]
  • Gonzalez-Valls, I., Mirloup, A., Le Bahers, T., Keller, N., Cottineau, T., Sautet, P. and Keller, V., 2016. Characterization and charge transfer properties of organic BODIPY dyes integrated in TiO 2 nanotube based dye-sensitized solar cells. RSC Advances, 6(94), pp.91529-91540. DOI:10.1039/C6RA14152H , [ImpactFactor: 3.289 | H index: 62 | SJR 2015: 0.99]
  • Liot, O., Seychelles, F., Zonta, F., Chibbaro, S., Coudarchet, T., Gasteuil, Y., Pinton, J.F., Salort, J. and Chillà, F., 2016. Simultaneous temperature and velocity Lagrangian measurements in turbulent thermal convection. Journal of Fluid Mechanics, 794, pp.655-675. DOI:10.1017/jfm.2016.190 , [ImpactFactor: 2.514 | H index: 155 | SJR 2015: 1.45]
  • Liot, O., Salort, J., Kaiser, R., du Puits, R. and Chillà, F., 2016. Boundary layer structure in a rough Rayleigh–Bénard cell filled with air. Journal of Fluid Mechanics, 786, pp.275-293. DOI:10.1017/jfm.2015.649 , [ImpactFactor: 2.514 | H index: 155 | SJR 2015: 1.45]
  • Rosa, A. and Everaers, R., 2016. Computer simulations of melts of randomly branching polymers. The Journal of Chemical Physics, 145(16), p.164906. DOI:10.1063/1.4965827 , [ImpactFactor: 2.894 | H index: 263 | SJR 2015: 0.959]
  • Rosa, A. and Everaers, R., 2016. Computer simulations of randomly branching polymers: annealed versus quenched branching structures. Journal of Physics A: Mathematical and Theoretical, 49(34), p.345001. DOI:10.1088/1751-8113/49/34/345001, [ImpactFactor: 1.933 | H index: 106 | SJR 2015: 0.881]
  • Fitoussi, C., Bourdon, B. and Wang, X., 2016. The building blocks of Earth and Mars: A close genetic link. Earth and Planetary Science Letters, 434, pp.151-160. DOI:10.1016/j.epsl.2015.11.036 , [ImpactFactor: 4.326 | H index: 177 | SJR 2015: 3.628]
  • Cardozo, D.L. and Holdsworth, P.C., 2016. Finite-size scaling of the magnetization probability density for the critical Ising model in slab geometry. Journal of Physics: Condensed Matter, 28(16), p.166007. DOI:10.1088/0953-8984/28/16/166007, [ImpactFactor: 2.209 | H index: 166 | SJR 2015: 0.812]
  • Puosi, F., Cardozo, D.L., Ciliberto, S. and Holdsworth, P.C., 2016. Direct calculation of the critical Casimir force in a binary fluid. Physical Review E, 94(4), p.040102. DOI:10.1103/PhysRevE.94.040102 , [ImpactFactor: 2.288 | H index: 177 | SJR 2015: 0.999]
  • Chuffart, F., Richard, M., Jost, D., Burny, C., Duplus-Bottin, H., Ohya, Y. and Yvert, G., 2016. Exploiting single-cell quantitative data to map genetic variants having probabilistic effects. PLoS Genet, 12(8), p.e1006213. DOI:10.1371/journal.pgen.1006213, [ImpactFactor: 6.661 | H index: 145 | SJR 2015: 6.308]
  • Ruppert, A.M., Jędrzejczyk, M., Sneka-Płatek, O., Keller, N., Dumon, A.S., Michel, C., Sautet, P. and Grams, J., 2016. Ru catalysts for levulinic acid hydrogenation with formic acid as a hydrogen source. Green Chemistry, 18(7), pp.2014-2028. DOI: 10.1039/C5GC02200B, [ImpactFactor: 8.506 | H index: 141 | SJR 2015: 2.571]
  • Réocreux, R., Huynh, M., Michel, C. and Sautet, P., 2016. Controlling the Adsorption of Aromatic Compounds on Pt (111) with Oxygenate Substituents: From DFT to Simple Molecular Descriptors. The journal of physical chemistry letters, 7(11), pp.2074-2079. DOI:10.1021/acs.jpclett.6b00612 , [ImpactFactor: 8.539 | H index: 98 | SJR 2015: 4.47]
  • Steinmann, S.N., Michel, C., Schwiedernoch, R., Wu, M. and Sautet, P., 2016. Electro-carboxylation of butadiene and ethene over Pt and Ni catalysts. Journal of Catalysis, 343, pp.240-247. DOI:10.1016/j.jcat.2016.01.008 , [ImpactFactor: 7.354 | H index: 179 | SJR 2015: 2.807]
  • Monyoncho, E.A., Steinmann, S.N., Michel, C., Baranova, E.A., Woo, T.K. and Sautet, P., 2016. Ethanol Electro-oxidation on Palladium Revisited Using Polarization Modulation Infrared Reflection Absorption Spectroscopy (PM-IRRAS) and Density Functional Theory (DFT): Why Is It Difficult To Break the C–C Bond?. ACS Catalysis, 6(8), pp.4894-4906. DOI:10.1021/acscatal.6b00289 , [ImpactFactor: 9.307 | H index: 67 | SJR 2015: 4.208]
  • Shi Bai, Thijs Laarhoven and Damien Stehlé, Tuple lattice sieving. Proceedings of ANTS-XII, LMS Journal of Computation and Mathematics, (2016). DOI:10.1112/S1461157016000292 , [ImpactFactor: 0.464 | H index: 4 | SJR 2015: 0.362]
  • Albrecht, M., Bai, S. and Ducas, L., 2016, August. A subfield lattice attack on overstretched NTRU assumptions. In Annual Cryptology Conference (pp. 153-178). Springer Berlin Heidelberg. Advances in Cryptology – CRYPTO. DOI:10.1007/978-3-662-53018-4_6
  • Kulesza, A.J., Titov, E., Daly, S., Włodarczyk, R., Megow, J., Saalfrank, P., Choi, C.M., MacAleese, L., Antoine, R. and Dugourd, P., 2016. Excited States of Xanthene Analogues: Photofragmentation and Calculations by CC2 and Time‐Dependent Density Functional Theory. ChemPhysChem, 17(19), pp.3129-3138. DOI:10.1002/cphc.201600650 , [ImpactFactor: 3.138 | H index: 105 | SJR 2015: 1.385 ]
  • Daly, S., Kulesza, A., Knight, G., MacAleese, L., Antoine, R. and Dugourd, P., 2016. The Gas-Phase Photophysics of Eosin Y and its Maleimide Conjugate. The Journal of Physical Chemistry A, 120(20), pp.3484-3490. DOI:10.1021/acs.jpca.6b01075 , [ImpactFactor: 2.883 | H index: 186 | SJR 2015: 1.231]
  • Dossmann, Y., Bourget, B., Brouzet, C., Dauxois, T., Joubaud, S. and Odier, P., 2016. Mixing by internal waves quantified using combined PIV/PLIF technique. Experiments in Fluids, 57(8), p.132. DOI:10.1007/s00348-016-2212-y , [ImpactFactor: 1.570 | H index: 82 | SJR 2015: 1.088]
  • Brouzet, C., Ermanyuk, E.V., Joubaud, S., Sibgatullin, I. and Dauxois, T., 2016. Energy cascade in internal-wave attractors. EPL (Europhysics Letters), 113(4), p.44001. DOI:10.1209/0295-5075/113/44001 , [ImpactFactor: 1.963 | H index: 115 | SJR 2015: 0.565]
  • Brouzet, C., Sibgatullin, I.N., Scolan, H., Ermanyuk, E.V. and Dauxois, T., 2016. Internal wave attractors examined using laboratory experiments and 3D numerical simulations. Journal of Fluid Mechanics, 793, pp.109-131. DOI:10.1017/jfm.2016.119 , [ImpactFactor: 2.547 | H index: 155 | SJR 2015: 1.45]

Liste des journaux

1 ACS applied materials & interfaces
5 ACS Catalysis
1 Annales Henri Poincaré
1 Annual Cryptology Conference
1 Catalysis Science & Technology
1 ChemPhysChem
1 Earth and Planetary Science Letters
1 EPL (Europhysics Letters)
1 Experiments in Fluids
1 Glycoconjugate Journal
2 Green Chemistry
1 Icarus
1 Inorganic Chemistry
1 Journal of Biological Chemistry
3 Journal of Catalysis
3 Journal of Fluid Mechanics
1 Journal of molecular modeling
2 Journal of Physics A: Mathematical and Theoretical
1 Journal of Physics: Condensed Matter
1 Journal of Power Sources
4 Journal of Statistical Physics
1 Nanoscale
1 Physical Chemistry Chemical Physics
2 Physical Review E
1 Physical Review Letters
1 PLoS Genet
1 Polyhedron
1 RSC Advances
1 Small
1 The Journal of Chemical Physics
1 The Journal of Physical Chemistry A
2 The Journal of Physical Chemistry C
2 The journal of physical chemistry letters
1 Theoretical Chemistry Accounts
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science/publications/2016.txt · Dernière modification: 2020/08/25 17:58 (modification externe)