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