Publications

Geng, C.; Ye, S.; Neese, F.: Analysis of Reaction Channels for Alkane Hydroxylation by Nonheme Iron(IV)–Oxo Complexes. Angewandte Chemie International Edition 49 (33), pp. 5717 - 5720 (2010)

Ye, S.; Price, J. C.; Barr, E. W.; Green, M. T.; Bollinger Jr., J. M.; Krebs, C.; Neese, F.: Cryoreduction of the NO-Adduct of Taurine:α-Ketoglutarate Dioxygenase (TauD) Yields an Elusive {FeNO}⁸ Species. Journal of the American Chemical Society 132 (13), pp. 4739 - 4751 (2010)

Ye, S.; Neese, F.: The Unusual Electronic Structure of Dinitrosyl Iron Complexes. Journal of the American Chemical Society 132 (11), pp. 3646 - 3647 (2010)

Ye, S.; Neese, F.: Accurate Modeling of Spin-State Energetics in Spin-Crossover Systems with Modern Density Functional Theory. Inorganic Chemistry 49 (3), pp. 772 - 774 (2010)

Ye, S.; Neese, F.; Ozarowski, A.; Smirnov, D.; Krzystek, J.; Telser, J.; Liao, J.-H.; Hung, C.-H.; Chu, W.-C.; Tsai, Y.-F. et al.; Wang, R.-C.; Chen, K.-Y.; Hsu, H.-F.: Family of V(III)-Tristhiolato Complexes Relevant to Functional Models of Vanadium Nitrogenase: Synthesis and Electronic Structure Investigations by Means of High-Frequency and -Field Electron Paramagnetic Resonance Coupled to Quantum Chemical Computations. Inorganic Chemistry 49 (3), pp. 977 - 988 (2010)