Zeitschriftenartikel (223)

2013
Zeitschriftenartikel
Roiban, G.-D.; Agudo Torres, R.; Reetz, M. T. Stereo- and regioselectivity in the P450-catalyzed oxidative tandem difunctionalization of 1-methylcyclohexene. Tetrahedron 2013, 69, 5306–5311.
Zeitschriftenartikel
Zadrozny, J. M.; Xiao, D. J.; Atanasov, M.; Long, G. J.; Grandjean, F.; Neese, F.; Long, J. R. Magnetic blocking in a linear iron(I) complex. Nature Chemistry 2013, 5, 577–581.
Zeitschriftenartikel
Kayser, H.; Rodríguez-Ropero, F.; Leitner, W.; Fioroni, M.; Domínguez de María, P. Mechanistic comparison of saccharide depolymerization catalyzed by dicarboxylic acids and glycosidases. RSC Advances 2013, 3, 9273–9278.
Zeitschriftenartikel
Kumari, D.; Singh, H.; Patil, M.; Thiel, W.; Pant, C. S.; Banerjee, S. Synthesis, characterization, thermal and computational studies of novel tetra-azido esters as energetic plasticizers. Thermochimica Acta 2013, 562, 96–104.
Zeitschriftenartikel
Jones, K. M.; Hillringhaus, T.; Klussmann, M. A Singlet Oxygen Approach to Oxaspirocycles. Tetrahedron Letters 2013, 54, 3294–3297.
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Schweinfurth, D.; Krzystek, J.; Schapiro, I.; Demeshko, S.; Klein, J.; Telser, J.; Ozarowski, A.; Su, C.-Y.; Meyer, F.; Atanasov, M.; Neese, F.; Sarkar, B. Electronic Structures of Octahedral Ni(II) Complexes with “Click” Derived Triazole Ligands: A Combined Structural, Magnetometric, Spectroscopic, and Theoretical Study. Inorganic Chemistry 2013, 52, 6880–6892.
Zeitschriftenartikel
Souris, C.; Frébault, F.; Audisio, D.; Farès, C.; Maulide, N. Direct Domino Synthesis of Azido-Dienoic Acids: Potential Linker Units. Synlett 2013, 24, 1286–1290.
Zeitschriftenartikel
Fortenberry, R. C.; Huang, X.; Yachmenev, A.; Thiel, W.; Lee, T. J. On the use of quartic force fields in variational calculations. Chemical Physics Letters 2013, 574, 1–12.
Zeitschriftenartikel
Wu, X.; Thiel, W.; Pezeshki, S.; Lin, H. Specific Reaction Path Hamiltonian for Proton Transfer in Water: Reparameterized Semiempirical Models. Journal of Chemical Theory and Computation 2013, 9, 2672–2686.
Zeitschriftenartikel
Audisio, D.; Gopakumar, G.; Xie, L.-G.; Alves, L. G.; Wirtz, C.; Martins, A. M.; Thiel, W.; Farès, C.; Maulide, N. Palladium-Catalyzed Allylic Substitution at Four-Membered-Ring Systems: Formation of η1-Allyl Complexes and Electrocyclic Ring Opening. Angewandte Chemie International Edition: a journal of the Gesellschaft Deutscher Chemiker 2013, 52, 6313–6316.
Zeitschriftenartikel
Kondoh, A.; Arlt, A.; Gabor, B.; Fürstner, A. Total Synthesis of Nominal Gobienine A. Chemistry – A European Journal 2013, 19, 7731–7738.
Zeitschriftenartikel
Ye, S.; Geng, C.; Shaik, S.; Neese, F. Electronic structure analysis of multistate reactivity in transition metal catalyzed reactions: the case of C–H bond activation by non-heme iron(IV)–oxo cores. Physical Chemistry Chemical Physics 2013, 15, 8017–8030.
Zeitschriftenartikel
Daengngern, R.; Kerdpol, K.; Kungwan, N.; Hannongbua, S.; Barbatti, M. Dynamics simulations of excited-state triple proton transfer in 7-azaindole complexes with water, water–methanol and methanol. Journal of Photochemistry and Photobiology A: Chemistry 2013, 266, 28–36.
Zeitschriftenartikel
Spörkel, L.; Cui, G.; Thiel, W. Photodynamics of Schiff Base Salicylideneaniline: Trajectory Surface-Hopping Simulations. The Journal of Physical Chemistry A 2013, 117, 4574–4583.
Zeitschriftenartikel
Micoine, K.; Persich, P.; Llaveria Cros, J.; Lam, M.-H.; Maderna, A.; Loganzo, F.; Fürstner, A. Total Syntheses and Biological Reassessment of Lactimidomycin, Isomigrastatin and Congener Glutarimide Antibiotics. Chemistry – A European Journal 2013, 19, 7370–7383.
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Felderhoff, M.; Urbanczyk, R.; Peil, S. Thermochemical Heat Storage for High Temperature Applications – A Review. Green 2013, 3, 113–123.
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Grünert, W.; Gies, H.; Muhler, M.; Polarz, S.; Lehmann, C. W.; Grossmann, D.; van den Berg, M.; Tkachenko, O. P.; De Toni, A.; Sinev, I.; Bandyopadhyay, M.; Narkhede, V.; Dreier, A.; Klementiev, K. V.; Birkner, A.; Löffler, E. Metal–supported catalysts encapsulated in mesoporous solids: Challenges and opportunities of a model concept. Physica Status Solidi B: Basic Solid State Physics 2013, 250, 1081–1093.
Zeitschriftenartikel
Schüth, F. Colloidal deposition as method to study the influence of the support on the activity of gold catalysts in CO-oxidation. Physica Status Solidi B-Basic Solid State Physics 2013, 250, 1142–1151.
Zeitschriftenartikel
Roemelt, M.; Maganas, D.; DeBeer, S.; Neese, F. A combined DFT and restricted open-shell configuration interaction method including spin-orbit coupling: Application to transition metal L-edge X-ray absorption spectroscopy. The Journal of Chemical Physics 2013, 138, 204101.
Zeitschriftenartikel
Manganas, D.; Roemelt, M.; Hävecker, M.; Trunschke, A.; Knop-Gericke, A.; Schlögl, R.; Neese, F. First principles calculations of the structure and V L-edge X-ray absorption spectra of V2O5 using local pair natural orbital coupled cluster theory and spin–orbit coupled configuration interaction approaches. Physical Chemistry Chemical Physics 2013, 15, 7260–7276.
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