Publikationen von Walter Thiel
Alle Typen
Zeitschriftenartikel (627)
2015
Zeitschriftenartikel
Heggen, B.; ; Thiel, W.; Excited-state dynamics of guanosine in aqueous solution revealed by time-resolved photoelectron spectroscopy: experiment and theory. Physical Chemistry Chemical Physics 2015, 17, 31978–31987.
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Zeitschriftenartikel
Karasulu, B.; ; Thiel, W. Vibrational relaxation as the driving force for wavelength conversion in the peridinin-chlorophyll a-protein. Biochimica et Biophysica Acta, Bioenergetics 2015, 1847, 1509–1517.
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Zeitschriftenartikel
Barbatti, M.; Thiel, W.; Excited-State Proton Transfer Can Tune the Color of Protein Fluorescent Markers. ChemPhysChem 2015, 16, 3444–3449.
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Liu, L.; Leutzsch, M.; Zheng, Y.; Alachraf, M. W.; Thiel, W.; List, B. Confined Acid-Catalyzed Asymmetric Carbonyl-Ene Cyclization. Journal of the American Chemical Society 2015, 137, 13268–13271.
Zeitschriftenartikel
Leutzsch, M.; Wolf, L. M.; Gupta, P.; Fuchs, M.; Thiel, W.; Farès, C.; Fürstner, A. Formation of Ruthenium Carbenes by gem-Hydrogen Transfer to Internal Alkynes: Implications for Alkyne trans-Hydrogenation. Angewandte Chemie International Edition 2015, 54, 12431–12436.
Zeitschriftenartikel
Breidung, J.; Thiel, W.; The v4 = 1 and v4 = 2 rovibrational levels of PF3 revisited: New solutions for old topics. Journal of Molecular Spectroscopy 2015, 316, 11–21.
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Audisio, D.; Wolf, L. M.; ; ; Wirtz, C.; Thiel, W.; ; Maulide, N. Dynamic behaviour of monohaptoallylpalladium species: internal coordination as a driving force in allylic alkylation chemistry. Chemical Science 2015, 6, 5734–5739.
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Ilg, M. K.; Wolf, L. M.; Mantilli, L.; Farès, C.; Thiel, W.; Fürstner, A. A Striking Case of Enantioinversion in Gold Catalysis and Its Probable Origins. Chemistry – A European Journal 2015, 21, 12279–12284.
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Escudero, D.; Thiel, W.; Spectroscopic and second-order nonlinear optical properties of Ruthenium(II) complexes: a DFT/MRCI and ADC(2) study. Physical Chemistry Chemical Physics 2015, 17, 18908–18912.
Zeitschriftenartikel
Vasilevskaya, T.; ; ; Thiel, W. Mechanism of proteolysis in matrix metalloproteinase-2 revealed by QM/MM modeling. Journal of Computational Chemistry 2015, 36, 1621–1630.
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Willwacher, J.; Heggen, B.; Wirtz, C.; Thiel, W.; Fürstner, A. Total Synthesis, Stereochemical Revision, and Biological Reassessment of Mandelalide A: Chemical Mimicry of Intrafamily Relationships. Chemistry – A European Journal 2015, 21, 10416–10430.
Zeitschriftenartikel
Loerbroks, C.; ; Thiel, W. Solvents effects on the mechanism of cellulose hydrolysis: A QM/MM study. Journal of Computational Chemistry 2015, 36, 1114–1123.
Zeitschriftenartikel
Thiel, W.; ; ; Torands Revisited: Metal Sequestration and Self-Assembly of Cyclo-2,9-tris-1,10-phenanthroline Hexaaza Macrocycles. Chemistry – A European Journal 2015, 21, 8426–8434.
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Dral, P. O.; ; Thiel, W. Machine Learning of Parameters for Accurate Semiempirical Quantum Chemical Calculations. Journal of Chemical Theory and Computation 2015, 11, 2120–2125.
Zeitschriftenartikel
Thiel, W. Excited-state intramolecular proton transfer to carbon atoms: nonadiabatic surface-hopping dynamics simulations. Physical Chemistry Chemical Physics 2015, 17, 9687–9697.
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Sokkar, P.; Boulanger, E.; Thiel, W.; Sanchez-Garcia, E. Hybrid Quantum Mechanics/Molecular Mechanics/Coarse Grained Modeling: A Triple-Resolution Approach for Biomolecular Systems. Journal of Chemical Theory and Computation 2015, 11, 1809–1818.
Zeitschriftenartikel
Thiel, W. Mechanism for the Nonadiabatic Photooxidation of Benzene to Phenol: Orientation-Dependent Proton-Coupled Electron Transfer. ChemPhysChem 2015, 16, 933–937.
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