Publikationen

Zeitschriftenartikel (6)

2014
Zeitschriftenartikel
Retegan, M.; Cox, N.; Pantazis, D. A.; Neese, F. A First-Principles Approach to the Calculation of the on-Site Zero-Field Splitting in Polynuclear Transition Metal Complexes. Inorganic Chemistry 2014, 53, 11785–11793.
Zeitschriftenartikel
Shafaat, H. S.; Griese, J. J.; Pantazis, D. A.; Roos, K.; Andersson, C. S.; Popović-Bijelić, A.; Gräslund, A.; Siegbahn, P. E. M.; Neese, F.; Lubitz, W.; Högbom, M.; Cox, N. Electronic Structural Flexibility of Heterobimetallic Mn/Fe Cofactors: R2lox and R2c Proteins. Journal of the American Chemical Society 2014, 136, 13399–13409.
Zeitschriftenartikel
Cox, N.; Retegan, M.; Neese, F.; Pantazis, D. A.; Boussac, A.; Lubitz, W. Electronic structure of the oxygen-evolving complex in photosystem II prior to O-O bond formation. Science 2014, 345, 804–808.
Zeitschriftenartikel
Pantazis, D. A.; Neese, F. All‐electron basis sets for heavy elements. Wiley Interdisciplinary Reviews: Computational Molecular Science 2014, 4, 363–374.
Zeitschriftenartikel
Lohmiller, T.; Krewald, V.; Pérez Navarro, M.; Retegan, M.; Rapatskiy, L.; Nowaczyk, M. M.; Boussac, A.; Neese, F.; Lubitz, W.; Pantazis, D. A.; Cox, N. Structure, ligands and substrate coordination of the oxygen-evolving complex of photosystem II in the S2 state: a combined EPR and DFT study. Physical Chemistry Chemical Physics 2014, 16, 11877–11892.
Zeitschriftenartikel
Retegan, M.; Cox, N.; Lubitz, W.; Neese, F.; Pantazis, D. A. The first tyrosyl radical intermediate formed in the S2–S3 transition of photosystem II. Physical Chemistry Chemical Physics 2014, 16, 11901–11910.

Buchkapitel (1)

2014
Buchkapitel
Pantazis, D. A.; Cox, N.; Lubitz, W.; Neese, F. Oxygen‐evolving Photosystem II. In Encyclopedia of Inorganic and Bioinorganic Chemistry; Scott, R. A., Messerschmid, A., Nicolet, Y., Hrsg.; Scott, R. A., Messerschmid, A., Nicolet, Y., Hrsg.; John Wiley & Sons: Hoboken, 2014.
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