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
Tzoulaki, D.; Heinke, L.; Schmidt, W.; Wilczok, U.; Kärger, J. Exploring Crystal Morphology of Nanoporous Hosts from Time-Dependent Guest Profiles. Angewandte Chemie-International Edition 2008, 47, 3954–3957.
Journal Article
Tzoulaki, D.; Heinke, L.; Schmidt, W.; Wilczok, U.; Kärger, J. Erforschung des Kristallinen Aufbaus Nanoporöser Materialien Mithilfe Zeitaufgelöster Konzentrationsprofile. Angewandte Chemie 2008, 120, 4018–4021.
Journal Article
Tzoulaki, D.; Schmidt, W.; Wilczok, U.; Kärger, J. 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.
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.; Shaik, S.; 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.; Liu, X.; Guo, Y.; Guo, Y. L.; Lu, G.; 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
Wloch, J.; 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.
Journal Article
Wozniak, A.; Marler, B.; Angermund, K.; Gies, H. Water and Cation Distribution in Fully and Partially Hydrated Li-LSX Zeolite. Chemistry of Materials 2008, 20, 5968–5976.
Journal Article
Yurchenko, S. N.; Thiel, W.; Carvajal, M.; Jensen, P. 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.; Voronin, B. A.; Tolchenov, R. N.; Doss, N.; Naumenko, O. V.; Thiel, W.; Tennyson, J. Potential Energy Surface of HDO up to 25 000 Cm⁻¹. Journal of Chemical Physics 2008, 128, 044312.
Journal Article
Zaki, M. I.; Knözinger, H.; Tesche, B.; Mekhemer, G. A. H.; Bongard, H.-J. Chemical and Morphological Consequences of Acidification of Pure, Phosphated, and Phosphonated CaO: Influence of CO₂ Adsorption. Langmuir 2008, 24, 6745–6753.
Journal Article
Zayed, F.; Greiner, L.; Schulz, P. S.; Lapkin, A.; 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.
Journal Article
Zein, S.; Duboc, C.; 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
Zhao, H.; Kayser, M. M.; 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
Atanasov, M.; Comba, P.; Daul, C. A.; 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; Boeyens, J. C. A., Ogilvie, J. F., Eds.; Boeyens, J. C. A., Ogilvie, J. F., Series Eds.; Springer: Dordrecht, The Netherlands, 2008; pp 411–446.
Book Chapter
Bogdanović, B.; Felderhoff, M.; Schüth, F. Complex Hydrides. In Hydrogen as a Future Energy Carrier; Züttel, A., Borgschulte, A., Schlapbach, L., Eds.; Züttel, A., Borgschulte, A., Schlapbach, L., Series Eds.; Wiley-VCH: Weinheim, 2008; pp 211–237.
Book Chapter
Felderhoff, M. Synthesis of Nanoscale Hydrogen Storage Materials. In Hydrogen Technology; Léon, A., Ed.; Léon, A., Series ed.; Springer: Berlin, 2008; pp 455–470.
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