The structure of photosystem II and the mechanism of water oxidation in photosynthesis
JR Shen - Annual review of plant biology, 2015 - annualreviews.org
Oxygenic photosynthesis forms the basis of aerobic life on earth by converting light energy
into biologically useful chemical energy and by splitting water to generate molecular oxygen …
into biologically useful chemical energy and by splitting water to generate molecular oxygen …
Quantum mechanical studies of large metal, metal oxide, and metal chalcogenide nanoparticles and clusters
A Fernando, KLDM Weerawardene… - Chemical …, 2015 - ACS Publications
Metal, metal oxide, and metal chalcogenide materials have a wide variety of applications.
For example, many metal clusters and nanoparticles are used as catalysts for reactions …
For example, many metal clusters and nanoparticles are used as catalysts for reactions …
Metal oxidation states in biological water splitting
A central question in biological water splitting concerns the oxidation states of the
manganese ions that comprise the oxygen-evolving complex of photosystem II …
manganese ions that comprise the oxygen-evolving complex of photosystem II …
Theoretical illumination of water-inserted structures of the CaMn 4 O 5 cluster in the S 2 and S 3 states of oxygen-evolving complex of photosystem II: full geometry …
Full geometry optimizations of several inorganic model clusters, CaMn4O4XYZ (H2O) 2 (X,
Y, Z= H2O, OH− or O2−), by the use of the B3LYP hybrid density functional theory (DFT) …
Y, Z= H2O, OH− or O2−), by the use of the B3LYP hybrid density functional theory (DFT) …
Oxygen-evolving Mn cluster in photosystem II: the protonation pattern and oxidation state in the high-resolution crystal structure
A Galstyan, A Robertazzi… - Journal of the American …, 2012 - ACS Publications
Extensive quantum chemical DFT calculations were performed on the high-resolution (1.9 Å)
crystal structure of photosystem II in order to determine the protonation pattern and the …
crystal structure of photosystem II in order to determine the protonation pattern and the …
Spin state as a marker for the structural evolution of nature's water-splitting catalyst
In transition-metal complexes, the geometric structure is intimately connected with the spin
state arising from magnetic coupling between the paramagnetic ions. The tetramanganese …
state arising from magnetic coupling between the paramagnetic ions. The tetramanganese …
Exchange Coupling Interactions from the Density Matrix Renormalization Group and N-Electron Valence Perturbation Theory: Application to a Biomimetic Mixed …
The accurate description of magnetic level energetics in oligonuclear exchange-coupled
transition-metal complexes remains a formidable challenge for quantum chemistry. The …
transition-metal complexes remains a formidable challenge for quantum chemistry. The …
Possible mechanisms for the O–O bond formation in oxygen evolution reaction at the CaMn4O5 (H2O) 4 cluster of PSII refined to 1.9 Å X-ray resolution
Very recently Umena et al. have determined the X-ray diffraction (XRD) structure of the
CaMn4O5 cluster (1) in the oxygen-evolving complex (OEC) of photosystem II (PSII) refined …
CaMn4O5 cluster (1) in the oxygen-evolving complex (OEC) of photosystem II (PSII) refined …
Possible mechanisms of water splitting reaction based on proton and electron release pathways revealed for CaMn4O5 cluster of PSII refined to 1.9 Å X‐ray …
T Saito, S Yamanaka, K Kanda, H Isobe… - … journal of quantum …, 2012 - Wiley Online Library
Recently, Umena et al. have revealed the X‐ray diffraction structure of the CaMn4O5 cluster
in the oxygen evolving complex (OEC) of photosystem II (PSII) refined to 1.9 Å resolution …
in the oxygen evolving complex (OEC) of photosystem II (PSII) refined to 1.9 Å resolution …
Convergence of QM/MM and cluster models for the spectroscopic properties of the oxygen-evolving complex in photosystem II
The latest crystal structure of photosystem II at 1.9 Å resolution, which resolves the topology
of the Mn4CaO5 oxygen evolving complex (OEC) at atomistic detail, enables a better …
of the Mn4CaO5 oxygen evolving complex (OEC) at atomistic detail, enables a better …