2016 DON publications

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F. Aquilante, J. Autschbach, R.K. Carlson, L.F. Chibotaru, M.G. Delcey, L. De Vico, I.F. Galvan, N. Ferre, L.M. Frutos, L. Gagliardi, M. Garavelli, A. Giussani, C.E. Hoyer, G. Li Manni, H. Lischka, D. Ma, P.A. Malmqvist, T. Mueller, A. Nenov, M. Olivucci, T.B. Pedersen, D. Peng, F. Plasser, B. Pritchard, M. Reiher, I. Rivalta, I. Schapiro, J. Segarra-Marti, M. Stenrup, D.G. Truhlar, L. Ungur, A. Valentini, S. Vancoillie, V. Veryazov, V.P. Vysotskiy, O. Weingart, F. Zapata, R. Lindh, Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table, Journal of Computational Chemistry. 37 (2016) 506–541. https://doi.org/10.1002/jcc.24221.
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M. Balestrieri, S. Colis, M. Gallart, G. Schmerber, P. Bazylewski, G.S. Chang, M. Ziegler, P. Gilliot, A. Slaoui, A. Dinia, Photon management properties of rare-earth (Nd,Yb,Sm)-doped CeO2 films prepared by pulsed laser deposition, Physical Chemistry Chemical Physics. 18 (2016) 2527–2534. https://doi.org/10.1039/C5CP04961J.
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D. Banerjee, F. Biraben, M. Charlton, P. Clade, P. Comini, P. Crivelli, O. Dalkarov, P. Debu, L. Dodd, A. Douillet, G. Dufour, P. Dupre, S. Eriksson, P. Froelich, P. Grandemange, S. Guellati, R. Guerout, M. Heinrich, P.-A. Hervieux, L. Hilico, A. Husson, P. Indelicato, S. Jonsell, J.-P. Karr, K. Khabarova, S.K. Kim, Y. Kim, N. Kolachevsky, N. Kuroda, A. Lambrecht, A.M.M. Leite, L. Liszkay, P. Lotrus, D. Lunney, N. Madsen, G. Manfredi, B. Mansouli, Y. Matsuda, A. Mohri, G. Mornacchi, V. Nesvizhevsky, F. Nez, P. Perez, C. Regenfus, J.-M. Rey, J.-M. Reymond, J.-Y. Rousse, S. Reynaud, A. Rubbia, Y. Sacquin, F. Schmidt-Kaler, N. Sillitoe, M. Staszczak, H. Torii, J.M. Heinrich, B. Vallage, M. Valdes, D.P. van der Werf, A. Voronin, J. Walz, S. Wolf, S. Wronka, Y. Yamazaki, Towards a test of the Weak Equivalence Principle of gravity using anti-hydrogen at CERN, in: 2016 CONFERENCE ON PRECISION ELECTROMAGNETIC MEASUREMENTS (CPEM 2016), IEEE, 345 E 47TH ST, NEW YORK, NY 10017 USA, 2016. http://dx.doi.org/.
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N. Besse, D. Coulette, Asymptotic and spectral analysis of the gyrokinetic-waterbag integro-differential operator in toroidal geometry, Journal of Mathematical Physics. 57 (2016) 081518. https://doi.org/10.1063/1.4960742.
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K. Bücker, M. Picher, O. Crégut, T. LaGrange, B.W. Reed, S.T. Park, D.J. Masiel, F. Banhart, Electron beam dynamics in an ultrafast transmission electron microscope with Wehnelt electrode, Ultramicroscopy. 171 (2016) 8–18. https://doi.org/10.1016/j.ultramic.2016.08.014.
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F. Califano, G. Manfredi, F. Valentini, Special issue: The Vlasov equation, from space to laboratory plasmas, Journal of Plasma Physics. 82 (2016) 701820603. https://doi.org/10.1017/S002237781600115X.
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G.M. Cech, A. Szalewska-Pałasz, K. Kubiak, A. Malabirade, W. Grange, V. Arluison, G. Węgrzyn, The Escherichia Coli Hfq Protein: An Unattended DNA-Transactions Regulator, Frontiers in Molecular Biosciences. 3 (2016) 36. https://doi.org/10.3389/fmolb.2016.00036.
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T. Chervy, J. Xu, Y. Duan, C. Wang, L. Mager, M. Frerejean, J.A.W. Munninghoff, P. Tinnemans, J.A. Hutchison, C. Genet, A.E. Rowan, T. Rasing, T.W. Ebbesen, High-Efficiency Second-Harmonic Generation from Hybrid Light Matter States, Nano Letters. 16 (2016) 7352–7356. https://doi.org/10.1021/acs.nanolett.6b02567.
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M.C. Chong, G. Reecht, H. Bulou, A. Boeglin, F. Scheurer, F. Mathevet, G. Schull, Narrow-Line Single-Molecule Transducer between Electronic Circuits and Surface Plasmons, Physical Review Letters. 116 (2016) 036802. https://doi.org/10.1103/PhysRevLett.116.036802.
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M.C. Chong, L. Soso-Vargas, H. Bulou, A. Boeglin, F. Scheurer, F. Mathevet, G. Schull, Ordinary and Hot Electroluminescence from Single-Molecule Devices: Controlling the Emission Color by Chemical Engineering, Nano Letters. 16 (2016) 6480–6484. https://doi.org/10.1021/acs.nanolett.6b02997.
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D. Coulette, G. Manfredi, Kinetic simulations of the Chodura and Debye sheaths for magnetic fields with grazing incidence, Plasma Physics and Controlled Fusion. 58 (2016). https://doi.org/10.1088/0741-3335/58/2/025008.
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D. Coulette, S.A. Hirstoaga, G. Manfredi, Effect of collisional temperature isotropisation on ELM parallel transport in a tokamak scrape-off layer, Plasma Physics and Controlled Fusion. 58 (2016) 085004. https://doi.org/10.1088/0741-3335/58/8/085004.
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M. Deb, P. Molho, B. Barbara, J.-Y. Bigot, Temperature and magnetic field dependence of rare-earth <-> iron exchange resonance mode in a magnetic oxide studied with femtosecond magneto-optical Kerr effect, Physical Review B. 94 (2016) 054422. https://doi.org/10.1103/PhysRevB.94.054422.
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A. Debacker, D. Lootens, P. Hébraud, Geometrical instability in the imbibition of a sphere, Soft Matter. 12 (2016) 7759–7763. https://doi.org/10.1039/c6sm01432a.
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A. Demchenko, Y. Chang, E. Chikoidze, B. Berini, C. Lefèvre, F. Roulland, C. Ulhaq-Bouillet, G. Versini, S. Barre, C. Leuvrey, V. Favre-Nicolin, N. Boudet, S. Zafeiratos, Y. Dumont, N. Viart, Tuning the conductivity type in a room temperature magnetic oxide: Ni-doped Ga0.6Fe1.4O3 thin films, RSC Advances. 6 (2016) 28248–28256. https://doi.org/10.1039/c6ra01540a.
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G. Follain, N. Osmani, G. Allio, N. Fekonja, S. Harlepp, J.G. Goetz, Hemodynamic profiles tune the arrest and extravasation of circulating tumor cells, Molecular Biology of the Cell. 27 (2016). https://doi.org/10.1016/j.devcel.2018.02.015.
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F. Fras, Q. Mermillod, G. Nogues, C. Hoarau, C. Schneider, M. Kamp, S. Hoefling, W. Langbein, J. Kasprzak, Multi-wave coherent control of a solid-state single emitter, Nature Photonics. 10 (2016) 155–158. https://doi.org/10.1038/NPHOTON.2016.2.
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C. Garcia-Iriepa, M. Gueye, J. Léonard, D. Martinez-Lopez, P.J. Campos, L.M. Frutos, D. Sampedro, M. Marazzi, A biomimetic molecular switch at work: coupling photoisomerization dynamics to peptide structural rearrangement, Physical Chemistry Chemical Physics. 18 (2016) 6742–6753. https://doi.org/10.1039/C5CP07599H.
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M. Gueye, J. Nillon, O. Crégut, J. Léonard, Broadband UV-Vis vibrational coherence spectrometer based on a hollow fiber compressor, Review of Scientific Instruments. 87 (2016) 093109. https://doi.org/http://dx.doi.org/10.1063/1.4962699.
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U. Halisdemir, F. Schleicher, D.J. Kim, B. Taudul, D. Lacour, W.S. Choi, M. Gallart, S. Boukari, G. Schmerber, V. Davesne, P. Panissod, D. Halley, H. Majjad, Y. Henry, B. Leconte, A. Boulard, D. Spor, N. Beyer, C. Kieber, E. Sternitzky, O. Crégut, M. Ziegler, F. Montaigne, J. Arabski, E. Beaurepaire, W. Jo, M. Alouani, P. Gilliot, M. Hehn, M. Bowen, Oxygen-vacancy driven tunnelling spintronics across MgO, in: Drouhin, HJ and Wegrowe, JE and Razeghi, M (Ed.), SPINTRONICS IX, SPIE-INT SOC OPTICAL ENGINEERING, 2016. https://doi.org/10.1117/12.2239017.
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Y. Hinschberger, G. Manfredi, P.-A. Hervieux, Coherent spin-light-induced mechanisms in the semirelativistic limit of the self-consistent Dirac-Maxwell equations, Physical Review A. 93 (2016) 042117. https://doi.org/10.1103/PhysRevA.93.042117.
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J. Hurst, K. Leveque-Simon, P.-A. Hervieux, G. Manfredi, F. Haas, High-harmonic generation in a quantum electron gas trapped in a nonparabolic and anisotropic well, Physical Review B. 93 (2016) 205402. https://doi.org/10.1103/PhysRevB.93.205402.
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J.O. Johansson, J.-W. Kim, E. Allwright, D.M. Rogers, N. Robertson, J.-Y. Bigot, Directly probing spin dynamics in a molecular magnet with femtosecond time-resolution, Chemical Science. 7 (2016) 7061–7067. https://doi.org/10.1039/c6sc01105e.
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M.F. Khelladi, A. Mansouri, C. Dal Cappello, I. Charpentier, P.-A. Hervieux, M.F. Ruiz-Lopez, A.C. Roy, Angular distributions in the double ionization of DNA bases by electron impact, Journal of Physics B-Atomic Molecular and Optical Physics. 49 (2016) 225201. https://doi.org/10.1088/0953-4075/49/22/225201.
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J.-W. Kim, O. Kovalenko, Y. Liu, J.-Y. Bigot, Exploring the Angstrom Excursion of Au Nanoparticles Excited away from a Metal Surface by an Impulsive Acoustic Perturbation, ACS Nano. 10 (2016) 10880–10886. https://doi.org/10.1021/acsnano.6b05196.
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G. Klughertz, G. Manfredi, P.-A. Hervieux, B.P. Pichon, S. Bégin-Colin, Effect of Disorder and Dipolar Interactions in Two-Dimensional Assemblies of Iron-Oxide Magnetic Nanoparticles, Journal of Physical Chemistry C. 120 (2016) 7381–7387. https://doi.org/10.1021/acs.jpcc.6b00254.
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P. Lamy, C. Dal Cappello, I. Charpentier, M.F. Ruiz-Lopez, P.-A. Hervieux, The second Born approximation for the double ionization of N-2 by electron impact, Journal of Physics B-Atomic Molecular and Optical Physics. 49 (2016) 135203. https://doi.org/10.1088/0953-4075/49/13/135203.
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R. Lazauskas, P.-A. Hervieux, M. Dufour, M. Valdes, Resonant antihydrogen formation in antiproton-positronium collisions, Journal of Physics B-Atomic Molecular and Optical Physics. 49 (2016) 094002. https://doi.org/10.1088/0953-4075/49/9/094002.
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K.J. Lee, J.H. Woo, E. Kim, Y. Xiao, X. Su, L.M. Mazur, A.-J. Attias, F. Fages, O. Crégut, A. Barsella, F. Mathevet, L. Mager, J.W. Wu, A. D’Aleo, J.-C. Ribierre, Electronic energy and electron transfer processes in photoexcited donor-acceptor dyad and triad molecular systems based on triphenylene and perylene diimide units, Physical Chemistry Chemical Physics. 18 (2016) 7875–7887. https://doi.org/10.1039/c5cp06279a.
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K.J. Lee, J.H. Woo, Y. Xiao, E. Kim, L. Mazur, D. Kreher, A.-J. Attias, K. Matczyszyn, M. Samoc, B. Heinrich, S. Méry, F. Fages, L. Mager, A. D’Aleo, J.W. Wu, F. MATHEVET, P. Andre, J.-C. Ribierre, Structure-charge transfer property relationship in self-assembled discotic liquid-crystalline donor-acceptor dyad and triad thin films, RSC Advances. 6 (2016) 57811–57819. https://doi.org/10.1039/C6RA08039A.
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C. Lefèvre, A. Thomasson, F. Roulland, V. Favre-Nicolin, Y. Joly, Y. Wakabayashi, G. Versini, S. Barre, C. Leuvrey, A. Demchenko, N. Boudet, N. Viart, Determination of the cationic distribution in oxidic thin films by resonant X-ray diffraction: the magnetoelectric compound Ga$\sb 2$-$ıt x$Fe$\sb ıt x$O$\sb 3$, Journal of Applied Crystallography. 49 (2016) 1308–1314. https://doi.org/10.1107/S1600576716010001.
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L. Liu, T. Duchanois, T. Etienne, A. Monari, M. Beley, X. Assfeld, S. Haacke, P.C. Gros, A new record excited state 3MLCT lifetime for metalorganic iron(ii) complexes, Physical Chemistry Chemical Physics. 18 (2016) 12550–12556. https://doi.org/10.1039/C6CP01418F.
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Q. Liu, Y.-C. Hsiao, M. Ahmadi, T. Wu, L. Liu, S. Haacke, H. Wang, B. Hu, N and p-type properties in organo-metal halide perovskites studied by Seebeck effects, Organic Electronics. 35 (2016) 216–220. https://doi.org/10.1016/j.orgel.2016.05.025.
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L. Liu, P. Eisenbrandt, T. Roland, M. Polkehn, P.-O. Schwartz, K. Bruchlos, B. Omiecienski, S. Ludwigs, N. Leclerc, E. Zaborova, J. Léonard, S. Méry, I. Burghardt, S. Haacke, Controlling Charge Separation and Recombination by Chemical Design in Donor-Acceptor Dyads, Physical Chemistry Chemical Physics. 18 (2016) 18536–18548. https://doi.org/10.1039/C6CP00644B.
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A. Maghraoui, M. Barthelemy, M. Albrecht, M. Vomir, J.-Y. Bigot, Magnetization dynamics in cobalt thin films probed with femtosecond high harmonics pulses, in: 2016 CONFERENCE ON LASERS AND ELECTRO-OPTICS (CLEO), IEEE, 2016.
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G. Manfredi, J.-L. Rouet, B. Miller, Y. Shiozawa, Cosmology in one dimension: Vlasov dynamics, Physical Review E. 93 (2016) 042211. https://doi.org/10.1103/PhysRevE.93.042211.
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F. Melaccio, N. Calimet, I. Schapiro, A. Valentini, M. Cecchini, M. Olivucci, Space and Time Evolution of the Electrostatic Potential During the Activation of a Visual Pigment, Journal of Physical Chemistry Letters. 7 (2016) 2563–2567. https://doi.org/10.1021/acs.jpclett.6b00977.
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F. Melaccio, M. del C. Marin, A. Valentini, F. Montisci, S. Rinaldi, M. Cherubini, X. Yang, Y. Kato, M. Stenrup, Y. Orozco-Gonzalez, N. Ferre, H.L. Luk, H. Kandori, M. Olivucci, Toward Automatic Rhodopsin Modeling as a Tool for High-Throughput Computational Photobiology, Journal of Chemical Theory and Computation. 12 (2016) 6020–6034. https://doi.org/10.1021/acs.jctc.6b00367.
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O. Morandi, P.-A. Hervieux, G. Manfredi, Bose-Einstein condensation of positronium: modification of the s-wave scattering length below to the critical temperature, Journal of Physics B-Atomic Molecular and Optical Physics. 49 (2016) 084002. https://doi.org/10.1088/0953-4075/49/8/084002.
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M. Paolino, M. Gueye, E. Pieri, M. Manathunga, S. Fusi, L. Latterini, D. Pannacci, M. Filatov, J. Léonard, M. Olivucci, A. Cappelli, Design, Synthesis and Dynamics of a GFP Fluorophore Mimic with an Ultrafast Switching Function, Journal of the American Chemical Society. 138 (2016) 9807–9825. https://doi.org/10.1021/jacs.5b10812.
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M. Pastore, T. Duchanois, L. Liu, A. Monari, X. Assfeld, S. Haacke, P.C. Gros, Interfacial charge separation and photovoltaic efficiency in Fe(II)-carbene sensitized solar cells, Physical Chemistry Chemical Physics. 18 (2016) 28069–28081. https://doi.org/10.1039/c6cp05535d.
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M. Polkehn, H. Tamura, P. Eisenbrandt, S. Haacke, S. Méry, I. Burghardt, Molecular Packing Determines Charge Separation in a Liquid Crystalline Bisthiophene–Perylene Diimide Donor–Acceptor Material, Journal of Physical Chemistry Letters. 7 (2016) 1327–1334. https://doi.org/10.1021/acs.jpclett.6b00277.
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M. Polkehn, P. Eisenbrandt, H. Tamura, S. Haacke, S. Méry, I. Burghardt, Ultrafast excitonic and charge transfer dynamics in nanostructured organic polymer materials, in: Andrews, DL and Nunzi, JM and Ostendorf, A (Ed.), NANOPHOTONICS VI, SPIE-INT SOC OPTICAL ENGINEERING, 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA, 2016. https://doi.org/10.1117/12.2230314.
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J.-C. Ribierre, L. Zhao, M. Inoue, P.-O. Schwartz, J.-H. Kim, K. Yoshida, A.S.D. Sandanayaka, H. Nakanotani, L. Mager, S. Méry, C. Adachi, Low threshold amplified spontaneous emission and ambipolar charge transport in non-volatile liquid fluorene derivatives, Chemical Communications. 52 (2016) 3103–3106. https://doi.org/10.1039/c5cc08331a.
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P. Solanke, S. Achelle, N. Cabon, O. Pytela, A. Barsella, B. Caro, F. Robin-le Guen, J. Podlesny, M. Klikar, F. Bures, Proaromatic pyranylidene chalcogen analogues and cyclopenta[c]thiophen-4,6-dione as electron donors and acceptor in efficient charge-transfer chromophores, Dyes and Pigments. 134 (2016) 129–138. https://doi.org/10.1016/j.dyepig.2016.07.008.
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E. Terrier, Y. Liu, B.P. Pichon, S. Bégin-Colin, V. Halté, Ultrafast demagnetization in Fe 3 O 4 and γ ‒Fe 2 O 3 nanoparticles: the role of enhanced antiferromagnetic exchange interaction, Journal of Physics D: Applied Physics. 49 (2016) 505001. https://doi.org/10.1088/0022-3727/49/50/505001.
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K. Voltz, J. Léonard, P.T. Touceda, J. Conyard, Z. Chaker, A. Dejaegere, J. Godet, Y. Mély, S. Haacke, R.H. Stote, Quantitative sampling of conformational heterogeneity of a DNA hairpin using molecular dynamics simulations and ultrafast fluorescence spectroscopy, Nucleic Acids Research. 44 (2016) 3408–3419. https://doi.org/10.1093/nar/gkw077.
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M. Vomir, R. Turnbull, I. Birced, P. Parreira, D.A. MacLaren, S.L. Lee, P. Andre, J.-Y. Bigot, Dynamical Torque in CoxFe3-xO4 Nanocube Thin Films Characterized by Femtosecond Magneto-Optics: A pi-Shift Control of the Magnetization Precession, Nano Letters. 16 (2016) 5291–5297. https://doi.org/10.1021/acs.nanolett.6b02618.