Publications

Neese, F.; Liakos, D. G.; Ye, S.: Correlated wavefunction methods in bioinorganic chemistry. Journal of Biological Inorganic Chemistry 16 (8), pp. 821 - 829 (2011)

Ye, S.; Neese, F.: Nonheme oxo-iron(IV) intermediates form an oxyl radical upon approaching the C–H bond activation transition state. Proceedings of the National Academy of Sciences of the United States of America 108 (4), pp. 1228 - 1233 (2011)

Ye, S.; Christian, G. J.; Geng, C.; Neese, F.: Theoretical Spectroscopies of Iron-Containing Enzymes and Biomimetics. In: Iron-Containing Enzymes: Versatile Catalysts of Hydroxylation Reactions in Nature, pp. 119 - 147 (Ed. de Visser, S. P.). The Royal Society of Chemistry, London (2011)