Publikationen von Walter Thiel

Zeitschriftenartikel (626)

2018
Zeitschriftenartikel
Wu, D.; Wang, Y.-T.; Fang, W.-H.; Cui, W.; Thiel, W.: QM/MM Studies on Photoisomerization Dynamics of Azobenzene Chromophore Tethered to a DNA Duplex: Local Unpaired Nucleobase Plays a Crucial Role. Chemistry – An Asian Journal 13 (7), S. 780 - 784 (2018)
Zeitschriftenartikel
Gu, L.; Wolf, L. M.; Thiel, W.; Lehmann, C. W.; Alcarazo, M.: Reductive Elimination of C6F5–C6F5 from Pd(II) Complexes: Influence of α-Dicationic Chelating Phosphines. Organometallics 37 (5), S. 665 - 672 (2018)
Zeitschriftenartikel
Cheng, G.-J.; Drosos, N.; Morandi, B.; Thiel, W.: Computational Study of B(C6F5)3-Catalyzed Selective Deoxygenation of 1,2-Diols: Cyclic and Noncyclic Pathways. ACS Catalysis 8 (3), S. 1697 - 1702 (2018)
Zeitschriftenartikel
Guthertz, A.; Leutzsch, M.; Wolf, L. M.; Gupta, P.; Rummelt, S. M.; Goddard, R.; Farès, C.; Thiel, W.; Fürstner, A.: Half-​Sandwich Ruthenium Carbene Complexes Link trans-​Hydrogenation and gem-​Hydrogenation of Internal Alkynes. Journal of the American Chemical Society 140 (8), S. 3156 - 3169 (2018)
2017
Zeitschriftenartikel
Zheng, Y.; Thiel, W.: Computational Insights into an Enzyme-Catalyzed [4+2] Cycloaddition. Journal of Organic Chemistry 82 (24), S. 13563 - 13571 (2017)
Zeitschriftenartikel
Decaneto, E.; Vasilevskaya, T.; Kutin, Y.; Ogata, H.; Grossman, M.; Sagi, I.; Havenith, M.; Lubitz, W.; Thiel, W.; Cox, N.: Solvent water interactions within the active site of the membrane type I matrix metalloproteinase. Physical Chemistry Chemical Physics 19 (45), S. 30316 - 30331 (2017)
Zeitschriftenartikel
Owens, A.; Yachmenev, A.; Thiel, W.; Tennyson, J.; Yurchenko, S. N.: ExoMol line lists – XXII. The rotation-vibration spectrum of silane up to 1200 K. Monthly Notices of the Royal Astronomical Society 471 (4), S. 5025 - 5032 (2017)
Zeitschriftenartikel
Drosos, N.; Cheng, G.-J.; Özkal, E.; Cacherat, B.; Thiel, W.; Morandi, B.: Catalytic Reductive Pinacol-Type Rearrangement of Unactivated 1,2-Diols through a Concerted, Stereoinvertive Mechanism. Angewandte Chemie International Edition 56 (43), S. 13377 - 13381 (2017)
Zeitschriftenartikel
Fazzi, D.; Barbatti, M.; Thiel, W.: Hot and Cold Charge-Transfer Mechanisms in Organic Photovoltaics: Insights into the Excited States of Donor/Acceptor Interfaces. The Journal of Physical Chemistry Letters 8 (19), S. 4727 - 4734 (2017)
Zeitschriftenartikel
Gliemann, B. D.; Strauss, V.; Hitzenberger, J. F.; Dral, P. O.; Hampel, F.; Gisselbrecht, J.-P.; Drewello, T.; Thiel, W.; Guldi, D. M.; Kivala, M.: Dithiafulvenyl-Extended N-Heterotriangulenes and Their Interaction with C60: Cooperative Fluorescence. Chemistry – A European Journal 23 (50), S. 12353 - 12362 (2017)
Zeitschriftenartikel
Pattni, V.; Vasilevskaya, T.; Thiel, W.; Heyden, M.: Distinct Protein Hydration Water Species Defined by Spatially Resolved Spectra of Intermolecular Vibrations. The Journal of Physical Chemistry B 121 (31), S. 7431 - 7442 (2017)
Zeitschriftenartikel
Chang, X.-P.; Gao, Y.-J.; Fang, W.-H.; Cui, G.; Thiel, W.: Quantum Mechanics/Molecular Mechanics Study on the Photoreactions of Dark- and Light-Adapted States of a Blue-Light YtvA LOV Photoreceptor. Angewandte Chemie International Edition 56 (32), S. 9341 - 9345 (2017)
Zeitschriftenartikel
Gu, L.; Zheng, Y.; Haldón, E.; Goddard, R.; Bill, E.; Thiel, W.; Alcarazo, M.: α-Radical Phosphines: Synthesis, Structure, and Reactivity. Angewandte Chemie International Edition 56 (30), S. 8790 - 8794 (2017)
Zeitschriftenartikel
Ganguly, A.; Luong, T. Q.; Brylski, O.; Dirkmann, M.; Möller, D.; Ebbinghaus, S.; Schulz, F.; Winter, R.; Sanchez-Garcia, E.; Thiel, W.: Elucidation of the Catalytic Mechanism of a Miniature Zinc Finger Hydrolase. The Journal of Physical Chemistry B 121 (26), S. 6390 - 6398 (2017)
Zeitschriftenartikel
Dral, P. O.; Owens, A.; Yurchenko, S. N.; Thiel, W.: Structure-based sampling and self-correcting machine learning for accurate calculations of potential energy surfaces and vibrational levels. The Journal of Chemical Physics 146 (24), 244108 (2017)
Zeitschriftenartikel
Ganguly, A.; Boulanger, E.; Thiel, W.: Importance of MM Polarization in QM/MM Studies of Enzymatic Reactions: Assessment of the QM/MM Drude Oscillator Model. Journal of Chemical Theory and Computation 13 (6), S. 2954 - 2961 (2017)
Zeitschriftenartikel
Gao, Y.-J.; Chang, X.-P.; Liu, X.-Y.; Li, Q.-S.; Cui, G.; Thiel, W.: Excited-State Decay Paths in Tetraphenylethene Derivatives. The Journal of Physical Chemistry A 121 (13), S. 2572 - 2579 (2017)
Zeitschriftenartikel
Gu, L.; Wolf, L. M.; Zieliński, A.; Thiel, W.; Alcarazo, M.: α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes. Journal of the American Chemical Society 139 (13), S. 4948 - 4953 (2017)
Zeitschriftenartikel
Rummelt, S. M.; Cheng, G.-J.; Gupta, P.; Thiel, W.; Fürstner, A.: Hydroxy-Directed Ruthenium-Catalyzed Alkene/Alkyne Coupling: Increased Scope, Stereochemical Implications, and Mechanistic Rationale. Angewandte Chemie International Edition 56 (13), S. 3599 - 3604 (2017)
Zeitschriftenartikel
Ganguly, A.; Thiel, W.; Crane, B. R.: Glutamine Amide Flip Elicits Long Distance Allosteric Responses in the LOV Protein Vivid. Journal of the American Chemical Society 139 (8), S. 2972 - 2980 (2017)
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