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Journal of the American Chemical Society|May 3, 2023
Does Serial Femtosecond Crystallography Depict State-Specific Catalytic Intermediates of the Oxygen-Evolving Complex?Maria Drosou, Gerard Comas-Vilà, Frank Neese, et al.Current Opinion in Chemical Biology|March 21, 2016
Recent developments in biological water oxidationMontserrat Pérez-Navarro, Frank Neese, Wolfgang Lubitz, et al.The Journal of Physical Chemistry. B|September 15, 2020
Accurate Computation of the Absorption Spectrum of Chlorophyll a with Pair Natural Orbital Coupled Cluster MethodsAbhishek Sirohiwal, Romain Berraud-Pache, Frank Neese, et al.Science (New York, N.Y.)|August 16, 2014
Photosynthesis. Electronic structure of the oxygen-evolving complex in photosystem II prior to O-O bond formationNicholas Cox, Marius Retegan, Frank Neese, et al.Inorganic Chemistry|December 25, 2015
Spin State as a Marker for the Structural Evolution of Nature's Water-Splitting CatalystVera Krewald, Marius Retegan, Frank Neese, et al.Journal of the American Chemical Society|April 22, 2021
Structure-Spectroscopy Correlations for Intermediate Q of Soluble Methane Monooxygenase: Insights from QM/MM CalculationsChristine E Schulz, Rebeca G Castillo, Dimitrios A Pantazis, et al.Journal of the American Chemical Society|November 19, 2011
Theoretical evaluation of structural models of the S2 state in the oxygen evolving complex of Photosystem II: protonation states and magnetic interactionsWilliam Ames, Dimitrios A Pantazis, Vera Krewald, et al.Physical Chemistry Chemical Physics : PCCP|July 30, 2009
Structure of the oxygen-evolving complex of photosystem II: information on the S(2) state through quantum chemical calculation of its magnetic propertiesDimitrios A Pantazis, Maylis Orio, Taras Petrenko, et al.Chemical Science|June 5, 2018
A five-coordinate Mn(iv) intermediate in biological water oxidation: spectroscopic signature and a pivot mechanism for water bindingMarius Retegan, Vera Krewald, Fikret Mamedov, et al.Chemical Science|January 9, 2018
Metal oxidation states in biological water splittingVera Krewald, Marius Retegan, Nicholas Cox, et al.Pageof 61