Zeitschriftenartikel (157)

2008
Zeitschriftenartikel
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.
Zeitschriftenartikel
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.
Zeitschriftenartikel
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.
Zeitschriftenartikel
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.
Zeitschriftenartikel
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.
Zeitschriftenartikel
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.
Zeitschriftenartikel
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.
Zeitschriftenartikel
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.
Zeitschriftenartikel
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.
Zeitschriftenartikel
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.
Zeitschriftenartikel
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.
Zeitschriftenartikel
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.
Zeitschriftenartikel
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.
Zeitschriftenartikel
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.
Zeitschriftenartikel
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.
Zeitschriftenartikel
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.
Zeitschriftenartikel
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.

Buchkapitel (21)

2008
Buchkapitel
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., Hrsg.; Boeyens, J. C. A., Ogilvie, J. F., Hrsg.; Springer: Dordrecht, The Netherlands, 2008; S 411–446.
Buchkapitel
Bogdanović, B.; Felderhoff, M.; Schüth, F. Complex Hydrides. In Hydrogen as a Future Energy Carrier; Züttel, A., Borgschulte, A., Schlapbach, L., Hrsg.; Züttel, A., Borgschulte, A., Schlapbach, L., Hrsg.; Wiley-VCH: Weinheim, 2008; S 211–237.
Buchkapitel
Felderhoff, M. Synthesis of Nanoscale Hydrogen Storage Materials. In Hydrogen Technology; Léon, A., Hrsg.; Léon, A., Hrsg.; Springer: Berlin, 2008; S 455–470.
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