Dimitrios A. Pantazis

Dimitrios A. Pantazis

Dr. Dimitrios A. Pantazis
Max Planck Institute for Chemical Energy Conversion
Dept. Molecular Theory and Spectroscopy
Stiftstr. 34-36
45470 Mülheim an der Ruhr
website, mail


Metals: Mn, Co, Cu
Techniques: Theoretical EPR spectroscopy, DFT, CC, LPNO methods
Resources: CPUs

Recent publications

V. Krewald, M. Retegan, N. Cox, J. Messinger, W. Lubitz, S. DeBeer, F. Neese, and D.A. Pantazis
"Metal oxidation states in biological water splitting"
Chem. Sci. 2015, 6, 1676-1695 [abstract]
DOI: 10.1039/C4SC03720K

N. Cox, M. Retegan, F. Neese, D.A. Pantazis, A. Boussac, and W. Lubitz
"Electronic structure of the oxygen-evolving complex in photosystem II prior to O-O bond formation"
Science 2014, 345, 804-808 [abstract]
DOI: 10.1126/science.1254910

H.S. Shafaat, J.J. Griese, D.A. Pantazis, K. Roos, C.S. Andersson, A. Popović-Bijelić, A. Gräslund, P.E.M. Siegbahn, F. Neese, W. Lubitz, M. Högbom, and N. Cox
"Electronic Structural Flexibility of Heterobimetallic Mn/Fe Cofactors: R2lox and R2c Proteins"
J. Am. Chem. Soc. 2014, 136, 13399-13409 [abstract]
DOI: 10.1021/ja507435t

D.A. Pantazis, and F. Neese
"All-electron basis sets for heavy elements"
WIREs Comput Mol Sci 2014, 4, 363-374 [abstract]
DOI: 10.1002/wcms.1177

M. Retegan, F. Neese, and D.A. Pantazis
"Convergence of QM/MM and Cluster Models for the Spectroscopic Properties of the Oxygen-Evolving Complex in Photosystem II"
J. Chem. Theory Comput. 2013, 9, 3832-3842 [abstract]
DOI: 10.1021/ct400477j

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