Zeitschriftenartikel (24)
2014
Zeitschriftenartikel
Seidel, G.; Gabor, B.; Goddard, R.; Heggen, B.; Thiel, W.; Fürstner, A. Gold Carbenoids: Lessons Learnt from a Transmetalation Approach. Angewandte Chemie International Edition 2014, 53, 879–882.
Zeitschriftenartikel
Spörkel, L.; Cui, G.; Koslowski, A.; Thiel, W. Nonequilibrium H/D Isotope Effects from Trajectory-Based Nonadiabatic Dynamics. The Journal of Physical Chemistry A 2014, 118, 152–157.
Zeitschriftenartikel
Escudero, D.; Thiel, W. Assessing the density functional theory-based multireference configuration interaction (DFT/MRCI) method for transition metal complexes. The Journal of Chemical Physics 2014, 140, 194105/1–194105/8.
Zeitschriftenartikel
Gámez, J. A.; Koslowski, A.; Thiel, W. Enhanced E → Z photoisomerisation in 2-aminoazobenzene. RSC Advances 2014, 4, 1886–1889.
Buchkapitel (1)
2014
Buchkapitel
Thiel, W. QM/MM Studies of Structure and Reactivity of Cytochrome P450 Enzymes: Methodology and Selected Applications. In Drug Metabolism Prediction: Methods and Principles in Medicinal Chemistry; , Hrsg.; , Hrsg.; Wiley-VCH: Weinheim, 2014; Bd. 63, S 133–177.
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