Zeitschriftenartikel (356)
2012
Zeitschriftenartikel
, J. Beltrán, J. Meyer, , und K. Reuter: Non-adiabatic effects during the dissociative adsorption of O2 at Ag(111)? A first-principles divide and conquer study. New Journal of Physics 14 (1), 013050 (2012).
Zeitschriftenartikel
Goldsmith, C.F.: Estimating the Thermochemistry of Adsorbates Based Upon Gas-Phase Properties. Topics in Catalysis 55 (5-6), 366–375 (2012).
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Goldsmith, C.F., und : Role of O2 + QOOH in Low-Temperature Ignition of Propane. 1. Temperature and Pressure Dependent Rate Coefficients. Journal of Physical Chemistry A 116 (13), 3325–3346 (2012).
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Goldsmith, C.F., und : Database of Small Molecule Thermochemistry for Combustion. The Journal of Physical Chemistry A 116 (36), 9033–9057 (2012).
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, und Y. Dehouck: Structure-based mutant stability predictions on proteins of unknown structure. Journal of Biotechnology 161 (3), 287–293 (2012).
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, , , , , , , , , , , , , , , , , , F. Filsinger, , , , , , , , , , , , , , , , , , , , , , , , , , , , , und : Nanoplasma Dynamics of Single Large Xenon Clusters Irradiated with Superintense X-Ray Pulses from the Linac Coherent Light Source Free-Electron Laser. Physical Review Letters 108 (24), 245005 (2012).
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, , , C. Stiehler, , , und : Transport AC losses of YBCO pancake coils wound from parallel connected tapes. Superconductor Science and Technology 25 (7), 075006 (2012).
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Gubbels, K., , , , , , und : Resonances in rotationally inelastic scattering of OH(X2Π) with helium and neon. Journal of Chemical Physics 136 (14), 144308 (2012).
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Gubbels, K., S.Y.T.van de Meerakker, , G. Meijer und : Scattering resonances in slow NH₃–He collisions. Journal of Chemical Physics 136 (7), 074301 (2012).
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, B. Burfeindt, J. Mahrt und F. Willig: Dynamics of ultrafast photoinduced heterogeneous electron transfer, implications for recent solar energy conversion scenarios. Chemical Physics Letters 545, 35–39 (2012).
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und F. Willig: Ultrafast Photoinduced Electron Transfer at Electrodes: The General Case of a Heterogeneous Electron-Transfer Reaction. ChemPhysChem 13 (12), 2877–2881 (2012).
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Guo, C., K. Hermann, M. Hävecker, A. Trunschke und R. Schlögl: Silica-Supported Titania Species: Structural Analysis from Quantum Theory and X-ray Spectroscopy. The Journal of Physical Chemistry C 116 (42), 22449–22457 (2012).
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Guo, C., L. Sun, K. Hermann, , und : X-ray absorption from large molecules at metal surfaces: Theoretical and experimental results for Co-OEP on Ni(100). The Journal of Chemical Physics 137 (19), 194703 (2012).
Zeitschriftenartikel
Haertelt, M., A. Fielicke, G. Meijer, , und : Structure determination of neutral MgO clusters—hexagonal nanotubes and cages. Physical Chemistry Chemical Physics 14 (8), 2849–2856 (2012).
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, , F. Girgsdies, D. Teschner, A. Knop-Gericke, R. Schlögl und : In Situ Study of the Formation and Stability of Supported Pd2Ga Methanol Steam Reforming Catalysts. Journal of Catalysis 286, 13–21 (2012).
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, , , , , , , , , E.L. Kunkes, M. Hävecker, M. Behrens, R. Schlögl und : Catalytic reactivity of face centered cubic PdZnα for the steam reforming of methanol. Journal of Catalysis 291, 44–54 (2012).
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Hamilton, N., T. Wolfram, G. Tzolova-Müller, , J. Kröhnert, , , A. Trunschke und R. Schlögl: Topology of silica supported vanadium–titanium oxide catalysts for oxidative dehydrogenation of propane. Catalysis science & technology 2 (7), 1346–1359 (2012).
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, , B.S. Zhang, , , W. Frandsen, , , und D.S. Su: Porous Montmorillonite Heterostructures Directed by a Single Alkyl Ammonium Template for Controlling the Product Distribution of Fischer−Tropsch Synthesis over Cobalt. Chemistry of Materials 24 (6), 972–974 (2012).
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Harding, D.J., C. Kerpal, G. Meijer und A. Fielicke: Activated methane on small cationic platinum clusters. Angewandte Chemie International Edition 51 (3), 817–819 (2012).
Zeitschriftenartikel
Harding, D.J., C. Kerpal, G. Meijer und A. Fielicke: Aktiviertes Methan auf kleinen Platinclusterkationen. Angewandte Chemie 124 (3), 842–845 (2012).
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Harding, D.J., C. Kerpal, und A. Fielicke: Communication: The structures of small cationic gas-phase platinum clusters. The Journal of Chemical Physics 136 (21), 211103 (2012).
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Härtelt, M., , , , und A. Fielicke: Gas-phase structures of neutral silicon clusters. The Journal of Chemical Physics 136 (6), 064301 (2012).
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, und A.S. Mikhailov: Global feedback control of Turing patterns in network-organized activator-inhibitor systems. Europhysics letters 98 (6), 64004 (2012).
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Hävecker, M., S. Wrabetz, J. Kröhnert, L.-I. Csepei, R. Naumann d'Alnoncourt, Y.V. Kolen’ko, F. Girgsdies, R. Schlögl und A. Trunschke: Surface chemistry of phase-pure M1 MoVTeNb oxide during operation in selective oxidation of propane to acrylic acid. Journal of Catalysis 285, 48–60 (2012).
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, D. Rohr und : Correlation potentials for molecular bond dissociation within the self-consistent random phase approximation. The Journal of Chemical Physics 136 (3), 034106 (2012).
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Hermann, K.: Periodic overlayers and moiré patterns: theoretical studies of geometric properties. Journal of Physics: Condensed Matter 24 (31), 314210 (2012).
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, , , C. Kerpal, D.J. Harding, G. Meijer, A. Fielicke und : Infrared driven CO oxidation reactions on isolated platinum cluster oxides, PtnOm+. Faraday Discussions 157, 213–225 (2012).
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, und B. Friedrich: Interleaved excerpts from interviews of Dudley Herschbach (DH) by John Rigden (JR) on May 21-22, 2003 and Bretislav Friedrich (BF) on March 5-9, 2012. Molecular Physics 110 (15-16), 1549–1590 (2012).
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Heyde, M., S.K. Shaikhutdinov und H.-J. Freund: Two-dimensional silica: Crystalline and vitreous. Chemical Physics Letters 550, 1–7 (2012).
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, , , , , , , , , , , M.G. Willinger, , und : Directing the Deposition of Ferromagnetic Cobalt onto Pt-tipped CdSe@CdS Nanorods: Synthetic and Mechanistic Insights. ACS Nano 6 (10), 8632–8645 (2012).
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, , M. Baerns und : Computing the correlation between catalyst composition and its performance in the catalysed process. Computers and Chemical Engineering 43, 55–67 (2012).
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, und A.S. Mikhailov: Nano-swimmers in biological membranes and propulsion hydrodynamics in two dimensions. European Physical Journal E 35 (11), 119 (2012).
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Huang, C.-H., Q. Zhang, , C. Chen, D.S. Su und : Three-Dimensional Hierarchically Ordered Porous Carbons with Partially Graphitic Nanostructures for Electrochemical Capacitive Energy Storage. ChemSusChem: chemistry & sustainability, energy & materials 5 (3), 563–571 (2012).
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, , A.S. Mikhailov und : Coarse-grain model for lipid bilayer self-assembly and dynamics: Multiparticle collision description of the solvent. The Journal of Chemical Physics 137 (5), 055101 (2012).
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, L. Shao, , und : Catalyst-free synthesis of single crystalline ZnO nanonails with ultra-thin caps. CrystEngComm 14 (24), 8330–8334 (2012).
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Huang, X., , M.G. Willinger, L. Shao, D.S. Su und : Assembly of Three-Dimensional Hetero-Epitaxial ZnO/ZnS Core/Shell Nanorod and Single Crystalline Hollow ZnS Nanotube Arrays. ACS Nano 6 (8), 7333–7339 (2012).
Zeitschriftenartikel
, und A. Rubio: Role of nonlocal exchange in the electronic structure of correlated oxides. Physical Review B 85 (11), 115129 (2012).
Zeitschriftenartikel
, , , , G. Santambrogio, K.R. Asmis und : Kinetic Study of the Reaction of Vanadium and Vanadium-Titanium Oxide Cluster Anions with SO2. Physical Chemistry Chemical Physics 14 (41), 14344–14353 (2012).
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, , , , , M.G. Willinger, , , , und : Selective deposition of Pt onto supported metal clusters for fuel cell electrocatalysts. Nanoscale 4 (20), 6461–6469 (2012).
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, P. Rinke und M. Scheffler: Electronic properties of lanthanide oxides from the GW perspective. Physical Review B 86 (12), 125115 (2012).
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Johnson, B., , und : Depth profiling of a CdS buffer layer on CuInS2 measured with X-ray photoelectron spectroscopy during removal by HCl etching. Thin solid films 520 (7), 2829–2832 (2012).
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, , , , , , , , , , , , , , , , , P.S. Kirchmann, , , , , , und : Femtosecond Dynamics of the Collinear-to-Spiral Antiferromagnetic Phase Transition in CuO. Physical Review Letters 108, 037203 (2012).
Zeitschriftenartikel
Junkes, H., und : BACnet liefert Daten der TGA am Fritz-Haber-Institut. BACnet Europe Journal 17, 16–17 (2012).
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, , , , , , , R. Ernstorfer, , und : A molecular conveyor belt by controlled delivery of single molecules into ultrashort laser pulses. Nature Physics 8 (3), 238–242 (2012).
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Kaluza, P.F. und : Phase oscillator neural network as artificial central pattern generator for robots. Neurocomputing 97, 115–124 (2012).
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Kaluza, P.F. und A.S. Mikhailov: Design of robust flow processing networks with time-programmed responses. European Physical Journal B 85 (4), 129 (2012).
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Kandemir, T., F. Girgsdies, I. Kasatkin, E.L. Kunkes, , , R. Schlögl und M. Behrens: Heterogeneous Catalysis under pressure - In-situ neutron diffraction under industrial conditions. Journal of Physics: Conference Series 340 (1), 012053 (2012).
Zeitschriftenartikel
Kandemir, T., , , , R. Naumann d'Alnoncourt, R. Schlögl und M. Behrens: In situ neutron diffraction under high pressure—Providing an insight into working catalysts. Nuclear Instruments and Methods in Physics Research Section A 673, 51–55 (2012).
Zeitschriftenartikel
, A. Tkatchenko, und M. Scheffler: Benzene adsorbed on Si(001): The role of electron correlation and finite temperature. Physical Review B 85 (4), 041403 (2012).