Zeitschriftenartikel (279)
2011
Zeitschriftenartikel
, , X. Ren, A. Tkatchenko und : Electronic structure of dye-sensitized TiO2 clusters from many-body perturbation theory. Physical Review B 84 (24), 245115 (2011).
Zeitschriftenartikel
, X. Ren, , und : Electronic structure of copper phthalocyanine from G0W0 calculations. Physical Review B 84 (19), 195143 (2011).
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, A. Tkatchenko, , und : Structure and Formation of Synthetic Hemozoin: Insights From First-Principles Calculations. Crystal Growth & Design 11 (8), 3332–3341 (2011).
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, A. Tkatchenko, M. Rossi, V. Gobre, , M. Scheffler und : Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals. Journal of Chemical Theory and Computation 7 (12), 3944–3951 (2011).
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Matera, S., H. Meskine und K. Reuter: Adlayer inhomogeneity without lateral interactions: Rationalizing correlation effects in CO oxidation at RuO2(110) with first-principles kinetic Monte Carlo. The Journal of Chemical Physics 134, 064713 (2011).
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und K. Reuter: Assessing computationally efficient isomerization dynamics: ΔSCF density-functional theory study of azobenzene molecular switching. The Journal of Chemical Physics 135 (22), 224303 (2011).
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, A.H.H. Uhl, , , S.K. Shaikhutdinov, S. Schauermann, , H.-J. Freund und : Morphological and chemical influences on alumina-supported palladium catalysts active for the gas phase hydrogenation of crotonaldehyde. The Journal of Chemical Physics 134, 214704–1-214704–15 (2011).
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Meek, S.A., M. Parsons, G. Heyne, V. Platschkowski, H. Haak, G. Meijer und : A traveling wave decelerator for neutral polar molecules. Review of scientific instruments 82 (9), 093108 (2011).
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Meek, S.A., G. Santambrogio, , H. Conrad und G. Meijer: Suppression of non-adiabatic losses of molecules from chip-based microtraps. Physical Review. A 83 (3), 033413 (2011).
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Melnikov, A., , , , , , , und : Ultrafast Transport of Laser-Excited Spin-Polarized Carriers in Au/Fe/MgO(001). Physical Review Letters 107 (7), 076601 (2011).
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Meyer, M., , , D. Wegkamp, M. Krenz und M. Wolf: Ultrafast Dynamics at the Na/D2O/Cu(111) Interface: Electron Solvation in Ice Layers and Na+-Mediated Surface Solvation. The Journal of Physical Chemistry C 115 (1), 204–209 (2011).
Zeitschriftenartikel
, , , T. Rocha, , A. Knop-Gericke und : Oxygen Binding to Cobalt and Iron Phthalocyanines As Determined from in Situ X-ray Absorption Spectroscopy. The Journal of Physical Chemistry C 115 (51), 25422–25428 (2011).
Zeitschriftenartikel
Mielke, J., , M. Koch, , , , , und L. Grill: Imine Derivatives on Au(111): Evidence for “Inverted” Thermal Isomerization. ACS NANO 5 (3), 2090–2097 (2011).
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Mota Lima, A.B., und M. Eiswirth: Kinetic Insights over a PEMFC Operating on Stationary and Oscillatory States. The Journal of Physical Chemistry A 115 (47), 13773–13782 (2011).
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Mulugeta, D., K. Watanabe, D. Menzel und H.-J. Freund: State-resolved investigation of the photodesorption dynamics of NO from (NO)2 on Ag nanoparticles of various sizes in comparison with Ag(111). The Journal of Chemical Physics 134, 164702–1-164702–11 (2011).
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Myrach, P., N. Nilius und H.-J. Freund: Photon mapping of individual Ag particles on MgO/Mo(001). Physical review / B 83, 035416–1-035416–5 (2011).
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, , M.A. Brown, M. Sterrer und H.-J. Freund: Analysis of the broadening of X-ray photoelectron spectroscopy peaks for ionic crystals. Angewandte Chemie 123 (43), 10356–10359 (2011).
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, , M.A. Brown, M. Sterrer und H.-J. Freund: Analysis of the broadening of X-ray photoelectron spectroscopy peaks for ionic crystals. Angewandte Chemie International Edition 50 (43), 10174–10177 (2011).
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, A.L. Walter, , , , und : Growth from Below: Graphene Bilayers on Ir(111). ACS Nano 5 (3), 2298–2306 (2011).
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, , , , F. Filsinger, B. Friedrich, G. Meijer und J. Küpper: Stark-selected beam of ground-state OCS molecules characterized by revivals of impulsive alignment. Physical Chemistry Chemical Physics 13 (42), 18971–18975 (2011).
Zeitschriftenartikel
Nilius, N., T. Risse, S. Schauermann, S.K. Shaikhutdinov, M. Sterrer und H.-J. Freund: Model studies in catalysis. Topics in Catalysis 54, 4–12 (2011).
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, , T. Shimada und : Spatial distribution of enhanced optical fields in monolayered assemblies of metal nanoparticles: Effects of interparticle coupling. Journal of Photochemistry and Photobiology A: Chemistry 221 (2-3), 154–159 (2011).
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, , , , , , und J. Küpper: Theoretical description of adiabatic laser alignment and mixed-field orientation: the need for a non-adiabatic model. Physical Chemistry Chemical Physics 13 (42), 18815–18824 (2011).
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, , und B. Roldan Cuenya: Oxygen Chemisorption, Formation, and Thermal Stability of Pt Oxides on Pt Nanoparticles Supported on SiO2/Si(001): Size Effects. The Journal of Physical Chemistry C 115 (34), 16856–16866 (2011).
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Ota, A., , M. Behrens, D. Rosenthal, , I. Kasatkin, F. Girgsdies, W. Zhang, R. Wagner und R. Schlögl: The Intermetallic Compound Pd2Ga as Selective Catalyst for the Semi-Hydrogenation of Acetylene: From Model to High Performance Systems. Journal of Physical Chemistry C 115, 1368–1374 (2011).
Zeitschriftenartikel
, , D. Teschner, , , , G. Weinberg, A. Knop-Gericke und R. Schlögl: Structural properties of an unsupported model Pt–Sn catalyst and its catalytic properties in cyclohexene transformation. Applied Catalysis A 391 (1-2), 377–385 (2011).
Zeitschriftenartikel
Paarmann, A., , , , und : Excitonic effects in two-dimensional vibrational spectra of liquid formamide. Physical Chemistry Chemical Physics 13 (23), 11351–11358 (2011).
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, M. Gramzow und K. Reuter: On the stability of “non-magic” endohedrally doped Si clusters: A first-principles sampling study of MSi+ 16 (M = Ti,V,Cr). The Journal of Chemical Physics 134, 244705 (2011).
Zeitschriftenartikel
Pan, Y., , N. Nilius und H.-J. Freund: Change of the surface electronic structure of Au(111) by a monolayer MgO(001) film. Physical Review B 84 (7), 075456 (2011).
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, , , , , , D. Teschner, M. Hävecker, A. Knop-Gericke, R. Schlögl und : Nontrivial Redox Behavior of Nanosized Cobalt: New Insights from Ambient Pressure X-ray Photoelectron and Absorption Spectroscopies. ACS Nano 5 (3), 2182–2190 (2011).
Zeitschriftenartikel
, , , , , D. Teschner, M. Hävecker, A. Knop-Gericke, R. Schlögl und S. Zafeiratos: When a Metastable Oxide Stabilizes at the Nanoscale: Wurtzite CoO Formation upon Dealloying of PtCo Nanoparticles. The Journal of Physical Chemistry Letters 2 (8), 900–904 (2011).
Zeitschriftenartikel
, , , , , und B. Roldan Cuenya: Evolution of the Structure and Chemical State of Pd Nanoparticles during the in Situ Catalytic Reduction of NO with H2. Journal of the American Chemical Society 133 (34), 13455–13464 (2011).
Zeitschriftenartikel
, , , , , , , und B. Roldan Cuenya: Structure, Chemical Composition, And Reactivity Correlations during the In Situ Oxidation of 2-Propanol. Journal of the American Chemical Society 133 (17), 6728–6735 (2011).
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Pelzer, K., M. Hävecker, , und : Stabilization of 200-Atom Platinum Nanoparticles by Organosilane Fragments. Angewandte Chemie International Edition 50 (22), 5170–5173 (2011).
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, , J. Tornow, , D.S. Su, R. Schlögl, und : LiFePO4 Mesocrystals for Lithium-Ion Batteries. Small 7 (8), 1127–1135 (2011).
Zeitschriftenartikel
, , , , , , , und : Probing dissociative molecular dications by mapping vibrational wave functions. Physical Review A 83, 043404 (2011).
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Putzke, S., F. Filsinger, H. Haak, J. Küpper und G. Meijer: Rotational-state-specific guiding of large molecules. Physical Chemistry Chemical Physics 13 (42), 18962–18970 (2011).
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, , , , D.S. Su und : Highly effective CuO/Fe(OH)x catalysts for selective oxidation of CO in H2-rich stream. Applied Catalysis B: Environmental 105 (1-2), 103–110 (2011).
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, , , , W. Zhang, und : Ultrasonic Approach for Formation of Erbium Oxide Nanoparticles with Variable Geometries. Langmuir 27 (23), 14472–14480 (2011).
Zeitschriftenartikel
Ren, X., A. Tkatchenko, P. Rinke und M. Scheffler: Beyond the Random-Phase Approximation for the Electron Correlation Energy: The Importance of Single Excitations. Physical review letters 106, 153003 (2011).
Zeitschriftenartikel
Riedel, J., S. Hoekstra, , J.J. Gilijamse, S.Y.T.van de Meerakker und G. Meijer: Accumulation of Stark-decelerated NH molecules in a magnetic trap. European Physical Journal D 65 (1-2), 161–166 (2011).
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Rinaldi, A., B. Frank, D.S. Su, und R. Schlögl: Facile Removal of Amorphous Carbon from Carbon Nanotubes by Sonication. Chemistry of Materials 23 (4), 926–928 (2011).
Zeitschriftenartikel
Rinaldi, A., J.-P. Tessonnier, M.E. Schuster, R. Blume, F. Girgsdies, Q. Zhang, , , D.S. Su und R. Schlögl: Dissolved Carbon Controls the Initial Stages of Nanocarbon Growth. Angewandte Chemie International Edition 50 (14), 3313–3317 (2011).
Zeitschriftenartikel
Rinaldi, A., J.-P. Tessonnier, M.E. Schuster, R. Blume, F. Girgsdies, Q. Zhang, , , D.S. Su und R. Schlögl: Gelöster Kohlenstoff kontrolliert die erste Phase des Nanokohlenstoffwachstums. Angewandte Chemie 123 (14), 3371–3375 (2011).
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Ringleb, F., Y. Fujimori, H.-F. Wang, , E. Carrasco, M. Sterrer, H.-J. Freund, , und : Interaction of water with FeO(111)/Pt(111): Environmental effects and influence of oxygen. The Journal of Physical Chemistry C 115 (39), 19328–19335 (2011).
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Roldan Cuenya, B., , , , , , , , , , und : Thermodynamic properties of Pt nanoparticles: Size, shape, support, and adsorbate effects. Physical Review B 84 (24), 245438 (2011).
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Romanshyn, Y., S. Guimond, D. Göbke, J.M. Sturm, H. Kuhlenbeck, , , und H.-J. Freund: Methanol adsorption on V2O3(0001). Topics in Catalysis 54 (10-12), 669–684 (2011).
Zeitschriftenartikel
, , Y. Dehouck und : Detection of Perturbation Phases and Developmental Stages in Organisms from DNA Microarray Time Series Data. PLoS One 6 (12), e27948 (2011).