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High-order waveguide modes in ZnO nanowires. Nano Letters 182.
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Geometries of second-row transition-metal complexes from density-functional theory. Journal of Chemical Theory and Computation 183.
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Vibrational corrections to geometries of transition metal complexes from density functional theory. Journal of Computational Chemistry 184.
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⁵¹V NMR chemical shifts calculated from QM/MM models of vanadium chloroperoxidase. Chemistry-A European Journal 185.
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Sorption kinetics of n-alkane vapours on isomorphously substituted MFI-type materials. Microporous and Mesoporous Materials 186.
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Omnidirectional photonic band gap in polymer photonic crystal slabs. Applied Physics Letters 187.
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Selective surface functionalization and metal deposition in the micropores of mesoporous silica SBA-15. Chemistry of Materials 188.
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Theoretical ROVibrational Energies (TROVE): A robust numerical approach to the calculation of rovibrational energies for polyatomic molecules. Journal of Molecular Spectroscopy 189.
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Metallic cobalt nanoparticles for heating applictions. Journal of Magnetism and Magnetic Materials 190.
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Commercial Fe- or Co-containing carbon nanotubes as catalysts for NH₃ decomposition. Chemical Communications (Cambridge, U. K.), pp. 1916 - 1918 (2007)
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Common system setup for the entire catalytic cycle of cytochrome P450cam in quantum mechanical/molecular mechanical studies. Journal of Computational Chemistry Book Chapter (16)
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Metal nanoclusters: Synthesis and strategies for their size-control. In: Metal Nanoclusters in Catalysis and Materials Science: The Issue of Size Control, pp. 21 - 48 (Eds. Corain, B.; Schmid, G.; Toshima, N.). Elsevier, Amsterdam (2007)
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Colloidal nanoparticles stabilized by surfactants or Al-organic derivatives: Preparation and use as catalyst precursors. In: Nanoparticles and Catalysis, pp. 49 - 91 (Ed. Astruc, D.). Wiley-VCH, Weinheim (2007)
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Speciation of peroxovanadium(V) complexes studied by first-principles molecular dynamics simulations and ⁵¹V NMR chemical shift computations. In: Vanadium: The Versatile Metal, pp. 312 - 322 (Eds. Kustin, K.; Costa Pessoa, J.; Crans, D.C.). American Chemical Society, Washington (2007)
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Case Studies at the Metathesis/Asymmetric Synthesis Interface. In: Asymmetric Synthesis - The Essentials, pp. 262 - 266 (Eds. Christmann, M.; Bräse, S.). Wiley-VCH, Weinheim (2007)
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Solid-State Hydrogenation/Hydrogenolysis of High-Rank Bituminous Coals with Gaseous Catalysts: New Perspectives for Coal Liquefaction and Metallurgical Coke Production. In: Proceedings 2007 International Conference on Coal Science Technology, Nottingham, UK, CD-ROM, pp. 1 - 12 (Eds. Editor, n. B.; ICCST). no Publisher, Nottingham, U. K. (2007)
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Supercritical and Compressed Carbon Dioxide as Reaction Medium and Mass Separating Agent for Hydrogenation Reactions Using Organometallic Catalysts. In: Handbook of Homogeneous Hydrogenation, pp. 1361 - 1375 (Eds. de Vries; G., J.). Wiley-VCH, Weinheim (2007)
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Quantum Chemical Approaches to Spin-Hamiltonian Parameters. In: Electron Paramagnetic Resonance, Vol. 20, Vol. 200.
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Directed evolution of enzymes for asymmetric syntheses. In: Asymmetric Synthesis - The Essentials, pp. 207 - 211 (Eds. Christmann, M.; Bräse, S.). Wiley-VCH, Weinheim (2007)