The S2 state of the oxygen-evolving complex of photosystem II explored by QM/MM dynamics: spin surfaces and metastable states suggest a reaction path towards the S3 state.
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Artificial photosynthesis: understanding water splitting in natureQM/MM molecular dynamics studies of metal binding proteinsPathway for Mn-cluster oxidation by tyrosine-Z in the S2 state of photosystem II.Reaction pathways for oxygen evolution promoted by cobalt catalystHydration of the oxygen-evolving complex of photosystem II probed in the dark-stable S1 state using proton NMR dispersion profiles.Structural rearrangements preceding dioxygen formation by the water oxidation complex of photosystem II.A Spotlight on the Compatibility between XFEL and Ab Initio Structures of the Oxygen Evolving Complex in Photosystem II.Removal of Ca(2+) from the Oxygen-Evolving Complex in Photosystem II Has Minimal Effect on the Mn4O5 Core Structure: A Polarized Mn X-ray Absorption Spectroscopy Study.Quantum mechanics/molecular mechanics simulation of the ligand vibrations of the water-oxidizing Mn4CaO5 cluster in photosystem II.How does ammonia bind to the oxygen-evolving complex in the S2 state of photosynthetic water oxidation? Theoretical support and implications for the W1 substitution mechanism.Structural Changes Correlated with Magnetic Spin State Isomorphism in the S2 State of the Mn4CaO5 Cluster in the Oxygen-Evolving Complex of Photosystem II.Metal oxidation states in biological water splitting† †Electronic supplementary information (ESI) available: Additional methodological details and discussion, Tables S1–S10, Fig. S1–S16, spin populations, parameters of optimized structures, experimeMetal oxidation states in biological water splitting.Photosynthetic water splitting by the Mn4Ca2+OX catalyst of photosystem II: its structure, robustness and mechanism.Geometries of low spin states of multi-centre transition metal complexes through extended broken symmetry variational Monte Carlo.The first tyrosyl radical intermediate formed in the S2-S3 transition of photosystem II.A five-coordinate Mn(iv) intermediate in biological water oxidation: spectroscopic signature and a pivot mechanism for water binding.Structural models of the biological oxygen-evolving complex: achievements, insights, and challenges for biomimicryResolving the Manganese Oxidation States in the Oxygen-evolving Catalyst of Natural Photosynthesis
P2860
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P2860
The S2 state of the oxygen-evolving complex of photosystem II explored by QM/MM dynamics: spin surfaces and metastable states suggest a reaction path towards the S3 state.
description
2013 nî lūn-bûn
@nan
2013年の論文
@ja
2013年学术文章
@wuu
2013年学术文章
@zh-cn
2013年学术文章
@zh-hans
2013年学术文章
@zh-my
2013年学术文章
@zh-sg
2013年學術文章
@yue
2013年學術文章
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2013年學術文章
@zh-hant
name
The S2 state of the oxygen-evo ...... ion path towards the S3 state.
@en
type
label
The S2 state of the oxygen-evo ...... ion path towards the S3 state.
@en
prefLabel
The S2 state of the oxygen-evo ...... ion path towards the S3 state.
@en
P2860
P356
P1476
The S2 state of the oxygen-evo ...... ion path towards the S3 state.
@en
P2093
Daniele Bovi
Daniele Narzi
P2860
P304
11744-11749
P356
10.1002/ANIE.201306667
P407
P577
2013-09-25T00:00:00Z