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Alexander Grundmeier et al.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS (2012)
Oxygen-Evolving Mn Cluster in Photosystem II: The Protonation Pattern and Oxidation State in the High-Resolution Crystal Structure
Artur Galstyan et al.
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Mechanisms for proton release during water oxidation in the S-2 to S-3 and S-3 to S-4 transitions in photosystem II
Per E. M. Siegbahn
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Synthetic model of the asymmetric [Mn3CaO4] cubane core of the oxygen-evolving complex of photosystem II
Shreya Mukherjee et al.
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The ORCA program system
Frank Neese
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S1-State Model of the O2-Evolving Complex of Photosystem II
Sandra Luber et al.
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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
Ji-Hu Su et al.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS (2011)
The Effect of Backbone Constraints: The Case of Water Oxidation by the Oxygen-Evolving Complex in PSII
Per E. M. Siegbahn
CHEMPHYSCHEM (2011)
Can oxidation states and the protonation pattern of oxomanganese complexes be recognized from their structures?
Arturo Robertazzi et al.
CRYSTENGCOMM (2011)
Synthetic manganese-calcium oxides mimic the water-oxidizing complex of photosynthesis functionally and structurally
Ivelina Zaharieva et al.
ENERGY & ENVIRONMENTAL SCIENCE (2011)
S1-state Mn4Ca complex of Photosystem II exists in equilibrium between the two most-stable isomeric substates: XRD and EXAFS evidence
Masami Kusunoki
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY B-BIOLOGY (2011)
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
Nicholas Cox et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Theoretical Evaluation of Structural Models of the S2 State in the Oxygen Evolving Complex of Photosystem II: Protonation States and Magnetic Interactions
William Ames et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Crystal structure of oxygen-evolving photosystem II at a resolution of 1.9 Å
Yasufumi Umena et al.
NATURE (2011)
A Synthetic Model of the Mn3Ca Subsite of the Oxygen-Evolving Complex in Photosystem II
Jacob S. Kanady et al.
SCIENCE (2011)
Theoretical magnetochemistry of dinuclear manganese complexes: broken symmetry density functional theory investigation on the influence of bridging motifs on structure and magnetism
Dimitrios A. Pantazis et al.
DALTON TRANSACTIONS (2010)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Structures and Energetics for O2 Formation in Photosystem II
Per E. M. Siegbahn
ACCOUNTS OF CHEMICAL RESEARCH (2009)
A New Quantum Chemical Approach to the Magnetic Properties of Oligonuclear Transition-Metal Complexes: Application to a Model for the Tetranuclear Manganese Cluster of Photosystem II
Dimitrios A. Pantazis et al.
CHEMISTRY-A EUROPEAN JOURNAL (2009)
Structure of the oxygen-evolving complex of photosystem II: information on the S-2 state through quantum chemical calculation of its magnetic properties
Dimitrios A. Pantazis et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)
A Structure-Consistent Mechanism for Dioxygen Formation in Photosystem II
Per E. M. Siegbahn
CHEMISTRY-A EUROPEAN JOURNAL (2008)
All-electron scalar relativistic basis sets for third-row transition metal atoms
Dimitrios A. Pantazis et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
The structure of the Mn4Ca2+ cluster of photosystem II and its protein environment as revealed by X-ray crystallography
James Barber et al.
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES (2008)
On the structure of the manganese complex of photosystem II: extended-range EXAFS data and specific atomic-resolution models for four S-states
Holger Dau et al.
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES (2008)
Structural changes in the Mn4Ca cluster and the mechanism of photosynthetic water splitting
Yulia Pushkar et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2008)
Electronic structure of the Mn4OxCa cluster in the S0 and S2 states of the oxygen-evolving complex of photosystem II based on pulse 55Mn-ENDOR and EPR Spectroscopy
Leonid V. Kulik et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
EPR spectroscopy of the manganese cluster of photosystem II
Alice Haddy
PHOTOSYNTHESIS RESEARCH (2007)
Bridge over troubled water: Resolving the competing photosystem II crystal structures
Simon Petrie et al.
CHEMISTRY-A EUROPEAN JOURNAL (2007)
Determination of μ-oxo exchange rates in di-μ-oxo dimanganese complexes by electrospray ionization mass spectrometry
Ranitendranath Tagore et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Towards complete cofactor arrangement in the 3.0 Å resolution structure of photosystem II
B Loll et al.
NATURE (2005)
X-ray damage to the Mn4Ca complex in single crystals of photosystem II:: A case study for metalloprotein crystallography
J Yano et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2005)
Towards a spin coupling model for the Mn4 cluster in photosystem II
MF Charlot et al.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS (2005)
Architecture of the photosynthetic oxygen-evolving center
KN Ferreira et al.
SCIENCE (2004)
Q-band EPR of the S2 state of Photosystem II confirms an S=5/2 origin of the X-band g=4.1 signal
A Haddy et al.
BIOPHYSICAL JOURNAL (2004)
Resolving intermediates in biological proton-coupled electron transfer: A tyrosyl radical prior to proton movement
P Faller et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2003)
Crystal structure of oxygen-evolving photosystem II from Thermosynechococcus vulcanus at 3.7-Å resolution
N Kamiya et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2003)
Crystal structure of photosystem II from Synechococcus elongatus at 3.8 Å resolution
A Zouni et al.
NATURE (2001)
EPR/ENDOR characterization of the physical and electronic structure of the OEC Mn cluster
JM Peloquin et al.
BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS (2001)
55Mn ENDOR of the S2-state multiline EPR signal of photosystem II:: Implications on the structure of the tetranuclear Mn cluster
JM Peloquin et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)
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