Journal Article (157)
141.
Journal Article
10, pp. 2159 - 2166 (2008)
OMx-D: Semiempirical methods with orthogonalization and dispersion corrections. Implementation and biochemical application. Physical Chemistry Chemical Physics 142.
Journal Article
Ordered mesoporous Co₃O₄ as highly active catalyst for low temperature CO-oxidation. Chemical Communications (Cambridge, U. K.), pp. 4022 - 4024 (2008)
143.
Journal Article
130 (1), pp. 280 - 287 (2008)
Synthesis and Magnetic Investigation of Ordered Mesoporous Two-Line Ferrihydrite. Journal of the American Chemical Society 144.
Journal Article
47, pp. 3954 - 3957 (2008)
Exploring crystal morphology of nanoporous hosts from time-dependent guest profiles. Angewandte Chemie-International Edition 145.
Journal Article
120, pp. 4018 - 4021 (2008)
Erforschung des kristallinen Aufbaus nanoporöser Materialien mithilfe zeitaufgelöster Konzentrationsprofile. Angewandte Chemie 146.
Journal Article
110, pp. 72 - 76 (2008)
Formation of surface barriers on silicalite-1 crystal fragments by residual water vapour as probed with isobutane by interference microscopy. Microporous and Mesoporous Materials 147.
Journal Article
112, pp. 5813 - 5823 (2008)
V-51 NMR chemical shifts from quantum-mechanical/molecular-mechanical models of vanadium bromoperoxidase. Journal of Physical Chemistry B 148.
Journal Article
112, pp. 5126 - 5138 (2008)
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 149.
Journal Article
8, pp. 5652 - 5658 (2008)
Nanocasted Synthesis of Mesoporous Metal Oxides and Mixed Oxides from Mesoporous Cubic (Ia3d) Vinylsilica. Journal of Nanoscience and Nanotechnology 150.
Journal Article
108, pp. 303 - 310 (2008)
Is diffusion controlled by crystal morphology? Inclusion of morphology to modelling the n-hexane diffusion in MFI-type zeolites. Microporous and Mesoporous Materials 151.
Journal Article
20, pp. 5968 - 5976 (2008)
Water and Cation Distribution in Fully and Partially Hydrated Li-LSX Zeolite. Chemistry of Materials 152.
Journal Article
346, pp. 146 - 159 (2008)
Ab initio potential energy surface, electric-dipole moment, polarizability tensor, and theoretical rovibrational spectra in the electronic ground state of ¹⁴NH₃⁺. Chemical Physics 153.
Journal Article
128, 044312 (2008)
Potential energy surface of HDO up to 25 000 cm⁻¹. Journal of Chemical Physics 154.
Journal Article
24, pp. 6745 - 6753 (2008)
Chemical and morphological consequences of acidification of pure, phosphated, and phosphonated CaO: Influence of CO₂ adsorption. Langmuir 155.
Journal Article
Continuous catalytic Friedel-Crafts acylation in the biphasic medium of an ionic liquid and supercritical carbon dioxide. Chemical Communications (Cambridge, U. K.), pp. 79 - 81 (2008)
156.
Journal Article
47 (1), pp. 134 - 142 (2008)
A Systematic Density Functional Study of the Zero-Field Splitting in Mn(II) Coordination Compounds. Inorganic Chemistry 157.
Journal Article
116, pp. 196 - 203 (2008)
Mesoporous silica modified with enantiopure sulfoxide as catalyst in allylation of aldehydes. Microporous and Mesoporous Materials Book Chapter (21)
158.
Book Chapter
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, pp. 411 - 446 (Eds. Boeyens, J. C. A.; Ogilvie, J. F.). Springer, Dordrecht, The Netherlands (2008)
159.
Book Chapter
Complex Hydrides. In: Hydrogen as a Future Energy Carrier, pp. 211 - 237 (Eds. Züttel, A.; Borgschulte, A.; Schlapbach, L.). Wiley-VCH, Weinheim (2008)
160.
Book Chapter
Synthesis of Nanoscale Hydrogen Storage Materials. In: Hydrogen Technology, pp. 455 - 470 (Ed. Léon, A.). Springer, Berlin (2008)