Journal Article (205)

2012
Journal Article
Jurberg, I. D.; Peng, B.; Wöstefeld, E.; Wasserloos, M.; Maulide, N. Intramolecular Redox-Triggered C-H Functionalization. Angewandte Chemie International Edition: a journal of the Gesellschaft Deutscher Chemiker 2012, 51, 1950–1953.
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Jurberg, I. D.; Peng, B.; Wöstefeld, E.; Wasserloos, M.; Maulide, N. C-H-Funktionalisierung durch eine Intramolekulare Redox-Strategie. Angewandte Chemie: eine Zeitschrift der Gesellschaft Deutscher Chemiker 2012, 124, 1986–1989.
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Huang, X.; Klimczyk, S.; Maulide, N. Charge-Accelerated Sulfonium [3,3]-Sigmatropic Rearrangements. Synthesis-Stuttgart 2012, 44, 175–183.
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Palkovits, R.; Rose, M. Isosorbide as a Renewable Platform Chemical for Versatile ApplicationsuQuo Vadis? CHEMSUSCHEM 2012, 5, 167–176.
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Cao, J.; Bjornsson, R.; Bühl, M.; Thiel, W.; van Mourik, T. Modelling Zwitterions in Solution: 3-Fluoro-y-Aminobutyric Acid (3F-GABA). Chemistry-a European Journal 2012, 18, 184–195.
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Jones, K. M.; Karier, P.; Klussmann, M. C1-Substituted N-Alkyl Tetrahydroisoquinoline Derivatives through V-Catalyzed Oxidative Coupling. ChemCatChem 2012, 4, 51–54.
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Jones, K. M.; Klussmann, M. Oxidative Coupling of Tertiary Amines: Scope, Mechanism and Challenges. Synlett 2012, 23, 159–162.
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Roemelt, M.; Beckwith, M. A.; Duboc, C.; Collomb, M.-N.; Neese, F.; DeBeer, S. Manganese K-Edge X-Ray Absorption Spectroscopy as a Probe of the Metal–Ligand Interactions in Coordination Compounds. Inorganic Chemistry 2012, 51, 680–687.
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Ai, Y.-J.; Fang, W.-H.; Liao, R.-Z.; Luo, Y. Theoretical Studies on Isomerization Mechanism of the Ortho-Green Fluorescent Protein Chromophore. Physical Chemistry Chemical Physics 2012, 14, 13409–13414.
Journal Article
Andresen, C.; Helander, S.; Lemark, A.; Farès, C.; Csizmok, V.; Carlsson, J.; Penn, L.-Z.; Forman-Kay, J. D.; Arrowsmith, C. H.; Lundström, P.; Sunnerhagen, M. Transient Structure and Dynamics in the Disordered c-Myc Transactivation Domain Affect Bin1 Binding. Nucleic Acids Research 2012, 40, 6353–6366.
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Barbatti, M.; Lan, Z.; Crespo Otero, R.; Szymczak, J.; Lischka, H.; Thiel, W. Critical Appraisal of Excited-State Nonadiabatic Dynamics Simulations of 9H-Adenine. The Journal of Chemical Physics 2012, 137, 1–14.
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Barbatti, M. C.; Nascimento, M. A. C. Does the H+5 Hydrogen Cluster Exist in Dense Interstellar Clouds? International Journal of Quantum Chemistry 2012, 112, 3169–3173.
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Boulanger, E.; Thiel, W. Solvent Boundary Potentials for Hybrid QM/MM Computations Using Classical Drude Oscillators: A Fully Polarizable Model. Journal of Chemical Theory and Computation 2012, 8, 4527–4538.
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Cowley, R. E.; Christian, G. J.; Brennessel, W. W.; Neese, F.; Holland, P. L. A Reduced (β‐Diketiminato)Iron Complex with End‐On and Side‐On Nitriles: Strong Backbonding or Ligand Non‐Innocence? European Journal of Inorganic Chemistry 2012, 2012, 479–483.
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Crespo-Otero, R.; Barbatti, M. C. Spectrum Simulation and Decomposition with Nuclear Ensemble: Formal Derivation and Application to Benzene, Furan and 2-Phenylfuran. Theoretical Chemistry Accounts 2012, 131, 1237.
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Cui, G.; Thiel, W. Nonadiabatic Dynamics of a Truncated Indigo Model. Physical Chemistry Chemical Physics 2012, 14, 12378–12384.
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Gámez Martinez, J. A.; Weingart, O.; Koslowski, A.; Thiel, W. Cooperating Dinitrogen and Phenyl Rotations in Trans-Azobenzene Photoisomerization. Journal of Chemical Theory and Computation 2012, 8, 2352–2358.
Journal Article
Götze, J.; Greco, C.; Mitrić, R.; Bonačić-Koutecky, V.; Saalfrank, P. BLUF Hydrogen Network Dynamics and UV/Vis Spectra: A Combined Molecular Dynamics and Quantum Chemical Study. Journal of Computational Chemistry 2012, 33, 2233–2242.
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Götze, J. P.; Saalfrank, P. Quantum Chemical Modeling of the Kinetic Isotope Effect of the Carboxylation Step in RuBisCO. Journal of Molecular Modeling 2012, 18, 1877–1883.
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Gu, X.; Tao, H.; Schmidt, W.; Lu, G.; Wang, Y. One-Pot Synthesis of Polyhedron-Like Hollow Aluminosilicate with Mesoporous Shells. Journal of Materials Chemistry A 2012, 22, 2473–2477.
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