Scientific Publications
Journal Article (157)
1.
Journal Article
112 (50), pp. 12904 - 12910 (2008)
Multireference Ab Initio Quantum Mechanics/Molecular Mechanics Study on Intermediates in the Catalytic Cycle of Cytochrome P450cam. The Journal of Physical Chemistry A 2.
Journal Article
112 (50), pp. 12936 - 12943 (2008)
Prediction of Iron K-Edge Absorption Spectra Using Time-Dependent Density Functional Theory. The Journal of Physical Chemistry A 3.
Journal Article
112 (50), pp. 12975 - 12979 (2008)
Ab Initio Study of Intriguing Coordination Complexes: A Metal Field Theory Picture. The Journal of Physical Chemistry A 4.
Journal Article
84 (3-4), pp. 552 - 562 (2008)
The effects of La2O3 on the structural properties of La2O3–Al2O3 prepared by the sol–gel method and on the catalytic performance of Pt/La2O3–Al2O3 towards steam reforming and partial oxidation of methane. Applied Catalysis B: Environmental 5.
Journal Article
36 (6), pp. 1433 - 1437 (2008)
Residual dipolar couplings as a tool to study molecular recognition of ubiquitin. Biochemical Society Transactions 6.
Journal Article
29 (24), pp. 4894 - 4899 (2008)
Impact of laser excitation intensity on deep UV fluorescence detection in microchip electrophoresis. Electrophoresis 7.
Journal Article
116 (1-3), pp. 237 - 245 (2008)
Effect of silica wall microporosity on the state and performance of TiO2 nanocrystals in SBA-15 matrix. Microporous and Mesoporous Materials 8.
Journal Article
130 (47), pp. 15786 - 15787 (2008)
Direct Catalytic Asymmetric Synthesis of Cyclic Aminals from Aldehydes. Journal of the American Chemical Society 9.
Journal Article
14 (34), pp. 10839 - 10851 (2008)
The Electronic Structure of Iron Corroles: A Combined Experimental and Quantum Chemical Study. Chemistry – A European Journal 10.
Journal Article
41 (11), pp. 1500 - 1511 (2008)
The Promise and Challenge of Iron-Catalyzed Cross Coupling. Accounts of Chemical Research 11.
Journal Article
47 (47), pp. 9092 - 9095 (2008)
Detection of Structural Elements of Different Zeolites in Nucleating Solutions by Electrospray Ionization Mass Spectrometry. Angewandte Chemie International Edition 12.
Journal Article
392 (11), pp. 839 - 848 (2008)
Fourier transform ion cyclotron resonance mass spectrometry in the speciation of high molecular weight sulfur heterocycles in vacuum gas oils of different boiling ranges. Analytical and Bioanalytical Chemistry 13.
Journal Article
130 (43), pp. 14108 - 14110 (2008)
Pseudomorphic Transformation of Highly Ordered Mesoporous Co3O4 to CoO via Reduction with Glycerol. Journal of the American Chemical Society 14.
Journal Article
32 (2), pp. 259 - 275 (2008)
Atomic Structure of the KEOPS Complex: An Ancient Protein Kinase-Containing Molecular Machine. Molecular Cell 15.
Journal Article
130 (42), pp. 13862 - 13863 (2008)
Organocatalytic Asymmetric Transferhydrogenation of β-Nitroacrylates: Accessing β2-Amino Acids. Journal of the American Chemical Society 16.
Journal Article
47 (44), pp. 8450 - 8454 (2008)
A Synthesis-Driven Structure Revision of Berkelic Acid Methyl Ester. Angewandte Chemie International Edition 17.
Journal Article
14 (30), pp. 9181 - 9191 (2008)
A Gold-Catalyzed Entry into the Sesquisabinene and Sesquithujene Families of Terpenoids and Formal Total Syntheses of Cedrene and Cedrol. Chemistry – A European Journal 18.
Journal Article
112 (50), pp. 13128 - 13138 (2008)
Compound I in Heme Thiolate Enzymes: A Comparative QM/MM Study. The Journal of Physical Chemistry 19.
Journal Article
47 (43), pp. 8302 - 8306 (2008)
Carbenes Stabilized by Ylides: Pushing the Limits. Angewandte Chemie International Edition 20.
Journal Article
47 (19), pp. 9085 - 9089 (2008)
Synthesis and Characterization of Bis[bis(pentafluoroethyl)phosphinyl]imides, M+N[(C2F5)2P(O)]2−, M = H, Na, K, Cs, Ag, Me4N. Inorganic Chemistry