Publications

Journal Article

Dimitrovski, D., M. Abu-samha, L.B. Madsen, F. Filsinger, G. Meijer, J. Küpper, L. Holmegaard, L. Kalhøj, J.H. Nielsen and H. Stapelfeldt: Ionization of oriented carbonyl sulfide molecules by intense circularly polarized laser pulses. Physical Review. A 83, 023405 (2011).

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Journal Article

Duncan, D.A., W. Unterberger, D. Kreikemeyer Lorenzo and D.P. Woodruff: Uracil on Cu(110): A quantitative structure determination by energy-scanned photoelectron diffraction. The Journal of Chemical Physics 135, 014704–1-014704–7 (2011).

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Journal Article

Echeverria, C., Y. Togashi, A.S. Mikhailov and R. Kapral: A mesoscopic model for protein enzymatic dynamics in solution. Physical Chemistry Chemical Physics 13 (22), 10527–10537 (2011).

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Journal Article

Ehrke, H., R.I. Tobey, S. Wall, S.A. Cavill, M. Först, V. Khanna, T. Garl, N. Stojanovic, D. Prabhakaran, A.T. Boothroyd, M. Gensch, A. Mirone, P. Reutler, A. Revcolevschi, S.S. Dhesi and A. Cavalleri: Photoinduced Melting of Antiferromagnetic Order in La_0.5Sr_1.5MnO₄ Measured Using Ultrafast Resonant Soft X-Ray Diffraction. Physical Review Letters 106 (21), 217401 (2011).

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Journal Article

Estreicher, S.K., D.J. Backlund, C. Carbogno and M. Scheffler: Activation Energies for Diffusion of Defects in Silicon: The Role of the Exchange-Correlation Functional. Angewandte Chemie International Edition 50 (43), 10221–10225 (2011).

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Farra, R., K. Thiel, A. Winter, T. Klamroth, A. Pöppl, A. Kelling, U. Schilde, A. Taubert and P. Strauch: Tetrahalidocuprates(II)—structure and EPR spectroscopy. Part 1: Tetrabromidocuprates(II). New Journal of Chemistry 35 (12), 2793–2803 (2011).

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Journal Article

Favry, E., D. Wang, D. Fatauzzi, J. Anton, D.S. Su, T. Jacob and N. Alonso-Vante: Synthesis, Electrochemical Characterization and Molecular Dynamics Studies of Surface Segregation of Platinum Nano-Alloy Electrocatalysts. Physical Chemistry Chemical Physics 13 (20), 9201–9208 (2011).

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Journal Article

Fichthorn, K.A., Y. Tiwary, T. Hammerschmidt, P. Kratzer and M. Scheffler: Analytic many-body potential for GaAs(001) homoepitaxy: Bulk and surface properties. Physical Review B 83, 195328 (2011).

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Journal Article

Fielicke, A. and G. Meijer: Comment on “Electronic Structures, Vibrational and Thermochemical Properties of Neutral and Charged Niobium Clusters Nb_n , n = 7-12.” Journal of Physical Chemistry A 115 (26), 7869–7870 (2011).

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Filsinger, F., G. Meijer, H. Stapelfeldt, H.N. Chapman and J. Küpper: State- and conformer-selected beams of aligned and oriented molecules for ultrafast diffraction studies. Physical Chemistry Chemical Physics 13, 2076–2087 (2011).

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Fiorito, S., A. Mastrofrancesco, G. Cardinali, E. Rosato, F. Salsano, D.S. Su, A. Serafino and M. Picardo: Effects of carbonaceous nanoparticles from low-emission and older diesel engines on human skin cells. Carbon 49 (15), 5038–5048 (2011).

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Fischer-Wolfahrt, J.-H., J. Hartmann, J.A. Farmer, J.M. Flores Camacho, C.T. Campbell, S. Schauermann and H.-J. Freund: An improved single crystal adsorption calorimeter for determining gas adsorption and reaction energies on complex model catalysts. Review of Scientific Instruments 82, 024102–1-024102–15 (2011).

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Journal Article

Flechsig, H., D. Popp and A.S. Mikhailov: In Silico Investigation of Conformational Motions in Superfamily 2 Helicase Proteins. PLoS One 6 (7), e21809 (2011).

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Journal Article

Flores Camacho, J.M., J.-H. Fischer-Wolfarth, M. Peter, C.T. Campbell, S. Schauermann and H.-J. Freund: Adsorption energetics of CO on supported Pd nanoparticles as a function of particle size by single crystal microcalorimetry. Physical Chemistry Chemical Physics 13 (37), 16800–16810 (2011).

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Flores Camacho, J.M., G. Weidlinger, L.D. Sun, K. Schmidegg, M. Hohage, D. Primetzhofer, P. Bauer and P. Zeppenfeld: Growth and optical properties of Ag clusters deposited on poly(ethylene terephthalate). Nanotechnology 22 (27), 275710 (2011).

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Först, M., R.I. Tobey, S. Wall, H. Bromberger, V. Khanna, A.L. Cavalieri, Y.-D. Chuang, W.S. Lee, R. Moore, W. Schlotter, J.J. Turner, O. Krupin, M. Trigo, H. Zheng, J.F. Mitchell, S.S. Dhesi, J.P. Hill and A. Cavalleri: Driving magnetic order in a manganite by ultrafast lattice excitation. Physical Review B 84 (24), 241104 (2011).

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Förstel, M., M. Mucke, T. Arion, A.M. Bradshaw and U. Hergenhahn: Autoionization Mediated by Electron Transfer. Physical review letters 106 (03), 033402 (2011).

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Förstel, M., M. Mucke, T. Arion, T. Lischke, S. Barth, V. Ulrich, G. Öhrwall, O. Björneholm, U. Hergenhahn and A.M. Bradshaw: Energy band dispersion in photoemission spectra of argon clusters. Journal of Electron Spectroscopy and Related Phenomena 184 (3-6), 107–112 (2011).

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Journal Article

Forster, M., R. Raval, A. Hodgson, J. Carrasco and A. Michaelides: c(2 x 2) Water-Hydroxyl Layer on Cu(110): A Wetting Layer Stabilized by Bjerrum Defects. Physical Review Letters 106, 046103 (2011).

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Journal Article

Frank, B., R. Blume, A. Rinaldi, A. Trunschke and R. Schlögl: Oxygen Insertion Catalysis by sp² Carbon. Angewandte Chemie International Edition 50 (43), 10226–10230 (2011).

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Frank, B., R. Blume, A. Rinaldi, A. Trunschke and R. Schlögl: Katalyse der Sauerstoffinsertion durch sp²-Kohlenstoff. Angewandte Chemie 123 (43), 10408–10413 (2011).

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Journal Article

Frank, B., S. Wrabetz, O. Khavryuchenko, R. Blume, A. Trunschke and R. Schlögl: Calorimetric Study of Propane and Propylene Adsorption on the Active Surface of Multiwalled Carbon Nanotube Catalysts. ChemPhysChem 12 (15), 2709–2713 (2011).

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Freund, H.-J., G. Meijer, M. Scheffler, R. Schlögl and M. Wolf: Die CO-Oxidation als Modellreaktion für heterogene Prozesse. Angewandte Chemie 123 (43), 10242–10275 (2011).

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Freund, H.-J., G. Meijer, M. Scheffler, R. Schlögl and M. Wolf: CO oxidation as a prototypical reaction for heterogeneous processes. Angewandte Chemie International Edition 50 (43), 10064–10094 (2011).

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Freund, H.-J., N. Nilius, T. Risse, S. Schauermann and T. Schmidt: Innovative measurement techniques in surface science. ChemPhysChem 12 (1), 79–87 (2011).

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Friedrich, B.: A toast to Jan Peter Toennies. Journal of Physical Chemistry A 115 (25), 6739–6741 (2011).

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Friedrich, B.: A molecular merry-go-round. Physics today 64 (6), 66–67 (2011).

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Friedrich, B.: There is only one science. Part II of interview with Milena Josefovicova. Dejiny ved a techniky = The Journal for the History of Sciences and Technology 44 (1), 33–49 (2011).

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Friedrich, B., D. Hoffmann and J. James: One hundred years of the Fritz Haber Institute. Angewandte Chemie 123 (43), 10198–10225 (2011).

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Friedrich, B., D. Hoffmann and J. James: One hundred years of the Fritz Haber Institute. Angewandte Chemie International Edition 50 (43), 10022–10049 (2011).

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Journal Article

Fuks, J.I., N. Helbig, I.V. Tokatly and A. Rubio: Nonlinear phenomena in time-dependent density-functional theory: What Rabi oscillations can teach us. Physical review / B 84 (7), 075107 (2011).

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Fuks, J.I., A. Rubio and N.T. Maitra: Charge transfer in time-dependent density-functional theory via spin-symmetry breaking. Physical Review A 83 (4), 042501 (2011).

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Gao, Y., D. Ma, G. Hu, P. Zhai, X. Bao, B. Zhu, B.S. Zhang and D.S. Su: Layered-Carbon-Stabilized Iron Oxide Nanostructures as Oxidation Catalysts. Angewandte Chemie International Edition 50 (43), 10236–10240 (2011).

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Gao, Y., D. Ma, G. Hu, P. Zhai, X. Bao, B. Zhu, B.S. Zhang and D.S. Su: Stabilisierung von Eisenoxid-Nanostrukturen mit mehrlagigem Kohlenstoff und Einsatz als Oxidationskatalysator. Angewandte Chemie 123 (43), 10419–10423 (2011).

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Gaudet, J., K.K. Bondo, Z. Song, T. Fujitani, W. Zhang, D.S. Su and S.T. Oyama: Effect of gold oxidation state on the epoxidation and hydrogenation of propylene on Au/TS-1. Journal of Catalysis 280 (1), 40–49 (2011).

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Journal Article

Gerling, U.I.M., E. Brandenburg, H.v. Berlepsch, K. Pagel and B. Koksch: Structure Analysis of an Amyloid-Forming Model Peptide by a Systematic Glycine and Proline Scan. Biomacromolecules 12 (8), 2988–2996 (2011).

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Journal Article

Gibbons, T.M., B. Kang, S.K. Estreicher and C. Carbogno: Thermal conductivity of Si nanostructures containing defects: Methodology, isotope effects, and phonon trapping. Physical Review B 84, 035317 (2011).

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Journal Article

Giese, P., H. Kirsch, M. Wolf and C. Frischkorn: Reduction of N₂O on MgO/Ag(100) via UV-Photoinduced Trapped Electrons. Journal of Physical Chemistry C 115 (20), 10012–10018 (2011).

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Journal Article

Gonchar, A., T. Risse, H.-J. Freund, L. Giordano, C. Di Valentin and G. Pacchioni: Activation of oxygen on MgO:O2˙ˉ radical ion formation on thin, metal-supported MgO(001) films. Angewandte Chemie International Edition 50 (11), 2635–2638 (2011).

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Gonchar, A., T. Risse, H.-J. Freund, L. Giordano, C. Di Valentin and G. Pacchioni: Aktivierung von molekularem Sauerstoff auf MgO: Bildung von O2˙ˉ auf dünnen, trägerfixierten MgO(001)-Filmen. Angewandte Chemie 123 (11), 2684–2687 (2011).

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Journal Article

Gonzalez Florez, A.I., S.A. Meek, H. Haak, H. Conrad, G. Santambrogio and G. Meijer: An electrostatic elliptical mirror for neutral polar molecules. Physical Chemistry Chemical Physics 13 (42), 18830–18834 (2011).

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Gubbels, K. and H.T.C. Stoof: Interacting preformed Cooper pairs in resonant Fermi gases. Physical Review A 84 (1), 013610 (2011).

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Guo, C., K. Hermann, M. Hävecker, J.P. Thielemann, P. Kube, L.J. Gregoriades, A. Trunschke, J. Sauer and R. Schlögl: Structural Analysis of Silica-Supported Molybdena Based on X-ray Spectroscopy: Quantum Theory and Experiment. The Journal of Physical Chemistry C 115, 15449–15458 (2011).

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Haertelt, M., V.J. Lapoutre, J.M. Bakker, B. Redlich, D.J. Harding, A. Fielicke and G. Meijer: Structure Determination of Anionic Metal Clusters via Infrared Resonance Enhanced Multiple Photon Electron Detachment Spectroscopy. The Journal of Physical Chemistry Letters 2, 1720–1724 (2011).

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Hamilton, S.M., W.S. Hopkins, D. Harding, T.R. Walsh, M. Haertelt, C. Kerpal, P. Gruene, G. Meijer, A. Fielicke and S.R. Mackenzie: Infrared-induced reactivity of N₂O on small gas-phase rhodium clusters. The Journal of Physical Chemistry A 115 (12), 2489–2497 (2011).

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Journal Article

Hansen, J.L., L. Holmegaard, L. Kalhøj, S.L. Kragh, H. Stapelfeldt, F. Filsinger, G. Meijer, J. Küpper, D. Dimitrovski, M. Abu-samha, C.P.J. Martiny and L.B. Madsen: Ionization of one- and three-dimensionally-oriented asymmetric-top molecules by intense circularly polarized femtosecond laser pulses. Physical Review. A 83 (2), 023406 (2011).

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Heinke, L. and J. Kärger: Correlating surface permeability with intracrystalline diffusivity in nanoporous solids. Physical Review Letters 106, 074501–1-074501–4 (2011).

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Journal Article

Helbig, N., J.I. Fuks, M. Casula, M.J. Verstraete, M.A.L. Marques, I.V. Tokatly and A. Rubio: Density functional theory beyond the linear regime: Validating an adiabatic local density approximation. Physical Review. A 83 (3), 032503 (2011).

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Journal Article

Helbig, N., J.I. Fuks, I.V. Tokatly, H. Appel, E.K.U. Gross and A. Rubio: Time-dependent density-functional and reduced density-matrix methods for few electrons: Exact versus adiabatic approximations. Chemical Physics 391 (1), 1–10 (2011).

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