Journal Article (157)
2008
Journal Article
Tuttle, T.; Thiel, W. OMx-D: Semiempirical Methods with Orthogonalization and Dispersion Corrections. Implementation and Biochemical Application. Physical Chemistry Chemical Physics 2008, 10, 2159–2166.
Journal Article
Tüysüz, H.; Comotti, M.; Schüth, F. Ordered Mesoporous Co₃O₄ as Highly Active Catalyst for Low Temperature CO-Oxidation. Chemical Communications (Cambridge, U. K.) 2008, 4022–4024.
Journal Article
Tüysüz, H.; Salabaş, E. L.; Weidenthaler, C.; Schüth, F. Synthesis and Magnetic Investigation of Ordered Mesoporous Two-Line Ferrihydrite. Journal of the American Chemical Society 2008, 130, 280–287.
Journal Article
Schmidt, W.; Wilczok, U.; Exploring Crystal Morphology of Nanoporous Hosts from Time-Dependent Guest Profiles. Angewandte Chemie-International Edition 2008, 47, 3954–3957.
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Journal Article
Schmidt, W.; Wilczok, U.; Erforschung des Kristallinen Aufbaus Nanoporöser Materialien Mithilfe Zeitaufgelöster Konzentrationsprofile. Angewandte Chemie 2008, 120, 4018–4021.
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Journal Article
Schmidt, W.; Wilczok, U.; Formation of Surface Barriers on Silicalite-1 Crystal Fragments by Residual Water Vapour as Probed with Isobutane by Interference Microscopy. Microporous and Mesoporous Materials 2008, 110, 72–76.
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Journal Article
Waller, M. P.; Geethalakshmi, K. R.; Bühl, M. V-51 NMR Chemical Shifts from Quantum-Mechanical/Molecular-Mechanical Models of Vanadium Bromoperoxidase. Journal of Physical Chemistry B 2008, 112, 5813–5823.
Journal Article
Wang, D.; Zheng, J. J.; ; Thiel, W. Quantum and Molecular Mechanical Study of the First Proton Transfer in the Catalytic Cycle of Cytochrome p450cam and its Mutant D251N. Journal of Physical Chemistry B 2008, 112, 5126–5138.
Journal Article
Wang, Y.; Wang, Y.; ; Guo, Y.; ; ; Schüth, F. Nanocasted Synthesis of Mesoporous Metal Oxides and Mixed Oxides from Mesoporous Cubic (Ia3d) Vinylsilica. Journal of Nanoscience and Nanotechnology 2008, 8, 5652–5658.
Journal Article
Kornatowski, J. Is Diffusion Controlled by Crystal Morphology? Inclusion of Morphology to Modelling the n-Hexane Diffusion in MFI-Type Zeolites. Microporous and Mesoporous Materials 2008, 108, 303–310.
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Journal Article
Angermund, K.; Water and Cation Distribution in Fully and Partially Hydrated Li-LSX Zeolite. Chemistry of Materials 2008, 20, 5968–5976.
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Journal Article
Yurchenko, S. N.; Thiel, W.; ; Ab Initio Potential Energy Surface, Electric-Dipole Moment, Polarizability Tensor, and Theoretical Rovibrational Spectra in the Electronic Ground State of ¹⁴NH₃⁺. Chemical Physics 2008, 346, 146–159.
Journal Article
Yurchenko, S. N.; ; ; ; ; Thiel, W.; Potential Energy Surface of HDO up to 25 000 Cm⁻¹. Journal of Chemical Physics 2008, 128, 044312.
Journal Article
Tesche, B.; ; Bongard, H.-J. Chemical and Morphological Consequences of Acidification of Pure, Phosphated, and Phosphonated CaO: Influence of CO₂ Adsorption. Langmuir 2008, 24, 6745–6753.
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Journal Article
Leitner, W. Continuous Catalytic Friedel-Crafts Acylation in the Biphasic Medium of an Ionic Liquid and Supercritical Carbon Dioxide. Chemical Communications (Cambridge, U. K.) 2008, 79–81.
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Journal Article
Zein, S.; ; Lubitz, W.; Neese, F. A Systematic Density Functional Study of the Zero-Field Splitting in Mn(II) Coordination Compounds. Inorganic Chemistry 2008, 47, 134–142.
Journal Article
Wang, Y.; Palkovits, R.; Schüth, F. Mesoporous Silica Modified with Enantiopure Sulfoxide as Catalyst in Allylation of Aldehydes. Microporous and Mesoporous Materials 2008, 116, 196–203.
; ; Book Chapter (21)
2008
Book Chapter
Neese, F. The Ligand-Field Paradigm-Insight into Electronic Properties of Transition-Metal Complexes Based on Calculations of Electronic Structure. In Models, Mysteries and Magic of Molecules; , , Eds.; , , Series Eds.; Springer: Dordrecht, The Netherlands, 2008; pp 411–446.
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Book Chapter
Bogdanović, B.; Felderhoff, M.; Schüth, F. Complex Hydrides. In Hydrogen as a Future Energy Carrier; , , , Eds.; , , , Series Eds.; Wiley-VCH: Weinheim, 2008; pp 211–237.
Book Chapter
Felderhoff, M. Synthesis of Nanoscale Hydrogen Storage Materials. In Hydrogen Technology; , Ed.; , Series ed.; Springer: Berlin, 2008; pp 455–470.