Frank Neese
www.cec.mpg.de
0000-0003-4691-0547
429 papers found
Refreshing results…
Bio-inspired thiolate metal complexes structural, spectroscopic and redox properties, reactivity
Light-induced water oxidation in photosynthesis
Probing the Selectivity in Extradiol Dioxygenases
Structure, ligands and substrate coordination of the oxygen-evolving complex of photosystem II in the S2 state: a combined EPR and DFT study
Identification of a spin-coupled Mo(iii) in the nitrogenase iron–molybdenum cofactor
The first tyrosyl radical intermediate formed in the S2–S3 transition of photosystem II
Is the molybdenum in FeMoco as innocent as we thought?
New homo- and heteronuclear complexes of Manganese/Calcium, as models of the Oxygen-Evolving Center of Photosystem II
Pulsed EPR Spectroscopy of S-33-Labeled Molybdopterin in Sulfite Oxidase
Structural studies of the reduced state of Ni-cyclam in CO2 activation
Theoretical spectroscopy of open shell transition metals in enzymes and model complexes
New Insights into the Electronic Structure of the FeMo Cofactor of Nitrogenase
Ni Valence-to-Core X-Ray Emission Spectroscopy: An experimental probe of NiFe hydrogenase intermediates
Structural Subunits of Natural and Artificial Water Oxidation Catalysts Investigated in Terms of Their Spectroscopic and Magnetic Properties
L edge X ray absorption study of mononuclear vanadium complexes and spectral predictions using a restricted open shell configuration interaction ansatz
Does a higher metal oxidation state necessarily imply higher reactivity toward H-atom transfer? A computational study of C–H bond oxidation by high-valent iron-oxo and -nitrido complexes
Heme-bound nitroxyl, hydroxylamine, and ammonia ligands as intermediates in the reaction cycle of cytochrome c nitrite reductase: a theoretical study
Structural and Spectroscopic Investigation of an Anilinosalen Cobalt Complex with Relevance to Hydrogen Production
Mössbauer Spectroscopy as a Probe of Magnetization Dynamics in the Linear Iron(I) and Iron(II) Complexes [Fe(C(SiMe3)3)2]1–/0
What is the most efficient way to reach the canonical MP2 basis set limit?
Missing publications? Search for publications with a matching author name.