Publikationen des MPI für Kohlenforschung
Zeitschriftenartikel (196)
2011
Zeitschriftenartikel
Bistoni, G.; ; ; ; Charge-Displacement Analysis of the Interaction in the Ammonia–Noble Gas Complexes. The Journal of Physical Chemistry A 2011, 115, 14657–14666.
Zeitschriftenartikel
Petuškova, J.; Patil, M.; Holle, S.; Lehmann, C. W.; Thiel, W.; Alcarazo, M. Synthesis, Structure, and Reactivity of Carbene-Stabilized Phosphorus(III)-Centered Trications [L3P]3+. Journal of the American Chemical Society 2011, 133, 20758–20760.
Zeitschriftenartikel
Goddard, R.; The Rhenium Tris(dithiolene) Electron Transfer Series: Calibrating Covalency. Inorganic Chemistry 2011, 50, 12623–12631.
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Zeitschriftenartikel
Pantazis, D. A.; ; ; ; Lubitz, W.; Neese, F. Theoretical Evaluation of Structural Models of the S2 State in the Oxygen Evolving Complex of Photosystem II: Protonation States and Magnetic Interactions. Journal of the American Chemical Society 2011, 133, 19743–19757.
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Zeitschriftenartikel
Pantazis, D. A.; ; ; Benzonitrile Adducts of Terminal Diarylphosphido Complexes: Preparative Sources of “Ru═PR2”. Organometallics 2011, 30, 6458–6465.
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Riplinger, C.; Neese, F. The Reaction Mechanism of Cytochrome P450 NO Reductase: A Detailed Quantum Mechanics/Molecular Mechanics Study. ChemPhysChem 2011, 12, 3192–3203.
Zeitschriftenartikel
Hansen, A.; Liakos, D. G.; Neese, F. Efficient and accurate local single reference correlation methods for high-spin open-shell molecules using pair natural orbitals. The Journal of Chemical Physics 2011, 135, 214102.
Zeitschriftenartikel
Surawatanawong, P.; Sproules, S.; Neese, F.; Wieghardt, K. Electronic Structures and Spectroscopy of the Electron Transfer Series [Fe(NO)L2]z (z = 1+, 0, 1–, 2–,3–; L = Dithiolene). Inorganic Chemistry 2011, 50, 12064–12074.
Zeitschriftenartikel
Lehr, K.; Mariz, R.; Leseurre, L.; Gabor, B.; Fürstner, A. Total Synthesis of Tulearin C. Angewandte Chemie International Edition 2011, 50, 11373–11377.
Zeitschriftenartikel
Müller, S.; Webber, M. J.; List, B. The Catalytic Asymmetric Fischer Indolization. Journal of the American Chemical Society 2011, 133, 18534–18537.
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Leitner, W.; A Versatile Lab to Pilot Scale Continuous Reaction System for Supercritical Fluid Processing. Organic Process Research & Development 2011, 15, 1275–1280.
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Zeitschriftenartikel
Roemelt, M.; ; ; ; Neese, F.; ; DeBeer, S. X-ray Emission Spectroscopy Evidences a Central Carbon in the Nitrogenase Iron-Molybdenum Cofactor. Science 2011, 334, 974–977.
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Zeitschriftenartikel
Morandi, B.; Expedient Preparation of Trifluoromethyl-Substituted Benzofuranols. Organic Letters 2011, 13, 5984–5985.
Zeitschriftenartikel
Leitner, W.; Iron-Catalyzed Furfural Production in Biobased Biphasic Systems: From Pure Sugars to Direct Use of Crude Xylose Effluents as Feedstock. ChemSusChem: chemistry & sustainability, energy & materials 2011, 4, 1592–1594.
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Zeitschriftenartikel
Neese, F.; DeBeer, S. Prediction of high-valent iron K-edge absorption spectra by time-dependent Density Functional Theory. Dalton Transactions 2011, 40, 11070–11079.
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Neumann, C. N.; Boursalian, G. B.; ; ; ; Ritter, T. A Fluoride-Derived Electrophilic Late-Stage Fluorination Reagent for PET Imaging. Science 2011, 334, 639–642.
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Zeitschriftenartikel
Goddard, R.; ; Bulky and Modular 3,3′-Bipyrazoles as Ligands: Synthesis, Characterization, and Catalytic Activity of Pd Complexes. European Journal of Inorganic Chemistry 2011, Nr. 32, 5014–5024.
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Zeitschriftenartikel
Rufińska, A.; ; Nickel(II) catalysed co-polymerisation of CO and ethene: Formation of polyketone vs. polyethylene - The role of co-catalysts. Journal of Catalysis 2011, 283, 143–148.
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Zeitschriftenartikel
Liakos, D. G.; Neese, F. Protein–Ligand Interaction Energies with Dispersion Corrected Density Functional Theory and High-Level Wave Function Based Methods. The Journal of Physical Chemistry A 2011, 115, 11210–11220.
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Zeitschriftenartikel
Neese, F.; ; Experimental and Computational Investigation of Thiolate Alkylation in NiII and ZnII Complexes: Role of the Metal on the Sulfur Nucleophilicity. Inorganic Chemistry 2011, 50, 10047–10055.
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