Publications
Journal Article (7)
2011
Journal Article
Pantazis, D. A.; ; ; ; Lubitz, W.; Neese, F. Theoretical Evaluation of Structural Models of the S2 State in the Oxygen Evolving Complex of Photosystem II: Protonation States and Magnetic Interactions. Journal of the American Chemical Society 2011, 133, 19743–19757.
;
Journal Article
Pantazis, D. A.; ; ; Benzonitrile Adducts of Terminal Diarylphosphido Complexes: Preparative Sources of “Ru═PR2.” Organometallics 2011, 30, 6458–6465.
;
Journal Article
Atanasov, M.; ; Pantazis, D. A.; Sivalingam, K.; Neese, F. Detailed Ab Initio First-Principles Study of the Magnetic Anisotropy in a Family of Trigonal Pyramidal Iron(II) Pyrrolide Complexes. Inorganic Chemistry 2011, 50, 7460–7477.
Journal Article
Pantazis, D. A.; ; ; ; ; ; Neese, F.; ; ; The Electronic Structures of the S2 States of the Oxygen-Evolving Complexes of Photosystem II in Plants and Cyanobacteria in the Presence and Absence of Methanol. Biochimica et Biophysica Acta, Bioenergetics 2011, 1807, 829–840.
; ; ;
Journal Article
Pantazis, D. A.; ; ; ; ; Neese, F.; ; ; Effect of Ca2+/Sr2+ Substitution on the Electronic Structure of the Oxygen-Evolving Complex of Photosystem II: A Combined Multifrequency EPR, 55Mn-ENDOR, and DFT Study of the S2 State. Journal of the American Chemical Society 2011, 133, 3635–3648.
; ; ;
Journal Article
Pantazis, D. A.; Neese, F. All-Electron Scalar Relativistic Basis Sets for the Actinides. Journal of Chemical Theory and Computation 2011, 7, 677–684.
Journal Article
Neese, F.; Pantazis, D. A. What is not Required to Make a Single Molecule Magnet. Faraday Discussions 2011, 148, 229–238.