Journal Article (205)

2014
Journal Article
King, A. E.; Nippe, M.; Atanasov, M.; Chantarojsiri, T.; Wray, C. A.; Bill, E.; Neese, F.; Long, J. R.; Chang, C. J. A Well-Defined Terminal Vanadium(III) Oxo Complex. Inorganic Chemistry 2014, 53, 11388–11395.
Journal Article
Retegan, M.; Cox, N.; Pantazis, D. A.; Neese, F. A First-Principles Approach to the Calculation of the on-Site Zero-Field Splitting in Polynuclear Transition Metal Complexes. Inorganic Chemistry 2014, 53, 11785–11793.
Journal Article
Busch, M.; Schmidt, W.; Migunov, V.; Beckel, A.; Notthoff, C.; Kompch, A.; Bergmann, U.; Winterer, M.; Atakan, B. Effect of Preparation of Iron-Infiltrated Activated Carbon Catalysts on Nitrogen Oxide Conversion at Low Temperature. Applied Catalysis B 2014, 160-161, 641–650.
Journal Article
Fürstner, A. Quelques Commentaires sur la Catalyse : la Recherche Fondamentale Précède les Applications. Some Comments about Catalysis: Fundamental Research Precedes Applications. Comptes Rendus Chimie 2014, 17, 1065–1070.
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Krech, D.; Zibrowius, B.; Weidenthaler, C.; Felderhoff, M. On the Preparation and Structure of Caesium Aluminium Tetrahydride. European Journal of Inorganic Chemistry 2014, 2014, 5683–5688.
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Verheyen, E.; Joos, L.; Martineau, C.; Dawson, C. J.; Weidenthaler, C.; Schmidt, W.; Yuan, R.; Breynaert , E.; van Speybroeck , V.; Waroquier, M.; Taulelle, F.; Treacy, M. M. J.; Martens, J. A.; Kirschhock, C. E. A. Flexibility Versus Rigidity: what Determines the Stability of Zeolite Frameworks? A Case Study. Materials Horizons 2014, 1, 582–587.
Journal Article
Caddeo, C.; Fazzi, D.; Caironi, M.; Mattoni, A. Atomistic Simulations of P(NDI2OD-T2) Morphologies: From Single Chain to Condensed Phases. The Journal of Physical Chemistry B 2014, 118, 12556–12565.
Journal Article
Barbatti, M. Computational Reference Data for the Photochemistry of Cyclobutane Pyrimidine Dimers. ChemPhysChem 2014, 15, 3342–3354.
Journal Article
Escudero, D.; Thiel, W. Exploring the Triplet Excited State Potential Energy Surfaces of a Cyclometalated Pt(II) Complex: Is There Non-Kasha Emissive Behavior? Inorganic Chemistry 2014, 53, 11015–11019.
Journal Article
Götze, J.; Kröner, D.; Banerjee, S.; Karasulu, B.; Thiel, W. Carotenoids as a Shortcut for Chlorophyll Soret-to-Q Band Energy Flow. ChemPhysChem 2014, 15, 3392–3401.
Journal Article
Loh, C. C. J.; Chauhan, P.; Hack, D.; Lehmann, C. W.; Enders, D. Rapid Asymmetric Synthesis of Highly Functionalized Indanols Via a Michael/Henry Organocascade with Submol% Squaramide Catalyst Loadings. Advanced Synthesis & Catalysis 2014, 356, 3181–3186.
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Urbanczyk, R.; Peinecke, K.; Felderhoff, M.; Hauschild, K.; Kersten, W.; Peil, S.; Bathen, D. Aluminium Alloy Based Hydrogen Storage Tank Operated with Sodium Aluminium Hexahydride Na3AlH6. International Journal of Hydrogen Energy 2014, 39, 17118–17128.
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Kollmar, C.; Neese, F. The Static Response Function in Kohn-Sham Theory: An Appropriate Basis for its Matrix Representation in Case of Finite AO Basis Sets. The Journal of Chemical Physics 2014, 141, 134106.
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Beydoun, K.; Ghattas, G.; Thenert, K.; Klankermayer, J.; Leitner, W. Ruthenium-Catalyzed Reductive Methylation of Imines Using Carbon Dioxide and Molecular Hydrogen. Angewandte Chemie International Edition 2014, 53, 11010–11014.
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Lhermet, R.; Fürstner, A. Cross-Metathesis of Terminal Alkynes. Chemistry - A European Journal 2014, 20, 13188–13193.
Journal Article
Seidel, R. W.; Goddard, R.; Oppel, I. M. Isomorphous Free-Base, Ni(II)- and Cu(II)-5,10,15,20-Tetra(4-Hydroxyphenyl)Porphyrin Nitrobenzene Hexasolvates with Tetragonal 3D Hydrogen-Bonded Network Structures. CrystEngComm 2014, 16, 10505–10511.
Journal Article
Zapata-Rivera, J.; Caballol, R.; Calzado, C. J.; Liakos, D. G.; Neese, F. On the Reaction Mechanism of the Complete Intermolecular O2 Transfer between Mononuclear Nickel and Manganese Complexes with Macrocyclic Ligands. Chemistry – A European Journal 2014, 20, 13296–13304.
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Deng, X.; Tüysüz, H. Cobalt-Oxide-Based Materials as Water Oxidation Catalyst: Recent Progress and Challenges. ACS Catalysis 2014, 4, 3701–3714.
Journal Article
Rumpel, S.; Siebel, J. F.; Farès, C.; Duan, J.; Reijerse, E.; Happe, T.; Lubitz, W.; Winkler, M. Enhancing Hydrogen Production of Microalgae by Redirecting Electrons from Photosystem I to Hydrogenase. Energy & Environmental Science 2014, 7, 3296–3301.
Journal Article
Sharma, S.; Sivalingam, K.; Neese, F.; Chan, G. K.-L. Low-Energy Spectrum of Iron–Sulfur Clusters Directly from Many-Particle Quantum Mechanics. Nature Chemistry 2014, 6, 927–933.
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