Publikationen

Sundararajan, M.; Ganyushin, D.; Ye, S.; Neese, F.: Multireference ab initio studies of zero-field splitting and magnetic circular dichroism spectra of tetrahedral Co(II) complexes. Dalton Transactions 2009 (30), S. 6021 - 6036 (2009)

Römelt, M.; Ye, S.; Neese, F.: Calibration of Modern Density Functional Theory Methods for the Prediction of ⁵⁷Fe Mössbauer Isomer Shifts: Meta-GGA and Double-Hybrid Functionals. Inorganic Chemistry 48 (3), S. 784 - 785 (2009)

Ye, S.; Neese, F.: Quantum chemical studies of C–H activation reactions by high-valent nonheme iron centers. Current Opinion in Chemical Biology 13 (1), S. 89 - 98 (2009)