Entangled quantum electronic wavefunctions of the Mn₄CaO₅ cluster in photosystem II. (Q47946866)

7 February 2018

title

Entangled quantum electronic wavefunctions of the Mn₄CaO₅ cluster in photosystem II. (English)

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7 February 2018

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Yuki Kurashige

1

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7 February 2018

Garnet Kin-Lic Chan

series ordinal

2

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7 February 2018

Takeshi Yanai

series ordinal

3

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7 February 2018

publication date

9 June 2013

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7 February 2018

published in

Nature Chemistry

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7 February 2018

volume

5

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7 February 2018

issue

8

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7 February 2018

page(s)

660-666

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7 February 2018

https://scigraph.springernature.com/pub.10.1038/nchem.1677

exact match

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cites work

UN NOUVEAU MODELE DES CENTRES PHOTOCHIMIQUES DU SYSTEME II

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Cooperation of charges in photosynthetic O2 evolution-I. A linear four step mechanism

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Absence of Mn-centered oxidation in the S(2) --> S(3) transition: implications for the mechanism of photosynthetic water oxidation.

21 January 2018

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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

21 January 2018

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Oxidation state changes of the Mn4Ca cluster in photosystem II.

21 January 2018

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X-Ray spectroscopy of the photosynthetic oxygen-evolving complex

21 January 2018

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Where water is oxidized to dioxygen: structure of the photosynthetic Mn4Ca cluster from X-ray spectroscopy

21 January 2018

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Structural changes in the Mn4Ca cluster and the mechanism of photosynthetic water splitting

21 January 2018

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Crystal structure of oxygen-evolving photosystem II at a resolution of 1.9 Å

21 January 2018

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Insights into current limitations of density functional theory.

21 January 2018

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The renormalization group: Critical phenomena and the Kondo problem

21 January 2018

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The density-matrix renormalization group

21 January 2018

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Spin-liquid ground state of the S = 1/2 kagome Heisenberg antiferromagnet

21 January 2018

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Density matrix renormalization group calculations on relative energies of transition metal complexes and clusters.

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On the spin and symmetry adaptation of the density matrix renormalization group method.

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High-performance ab initio density matrix renormalization group method: applicability to large-scale multireference problems for metal compounds.

21 January 2018

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Stoichiometry of proton release from the catalytic center in photosynthetic water oxidation. Reexamination by a glass electrode study at ph 5.5-7.2.

21 January 2018

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X-ray damage to the Mn4Ca complex in single crystals of photosystem II: a case study for metalloprotein crystallography

21 January 2018

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https://api.crossref.org/works/10.1038%2FNCHEM.1677

Where water is oxidized to dioxygen: structure of the photosynthetic Mn4Ca cluster

21 January 2018

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https://api.crossref.org/works/10.1038%2FNCHEM.1677

S1-state model of the O2-evolving complex of photosystem II

21 January 2018

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Theoretical evaluation of structural models of the S2 state in the oxygen evolving complex of Photosystem II: protonation states and magnetic interactions

21 January 2018

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S1-state Mn4Ca complex of Photosystem II exists in equilibrium between the two most-stable isomeric substates: XRD and EXAFS evidence

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Two interconvertible structures that explain the spectroscopic properties of the oxygen-evolving complex of photosystem II in the S2 state.

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P450 enzymes: their structure, reactivity, and selectivity-modeled by QM/MM calculations

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Simultaneous Femtosecond X-ray Spectroscopy and Diffraction of Photosystem II at Room Temperature

21 January 2018

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Towards a spin coupling model for the Mn4 cluster in Photosystem II.

21 January 2018

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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

21 January 2018

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Evidence for wavelike energy transfer through quantum coherence in photosynthetic systems

21 January 2018

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Accurate ab Initio Spin Densities

21 January 2018

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Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy.

21 January 2018

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Orbital optimization in the density matrix renormalization group, with applications to polyenes and beta-carotene.

21 January 2018

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Electronic structure of S2 state of the oxygen-evolving complex of photosystem II studied by PELDOR

21 January 2018

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Analysis of Reaction Channels for Alkane Hydroxylation by Nonheme Iron(IV)-Oxo Complexes

21 January 2018

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Second-order perturbation theory with a density matrix renormalization group self-consistent field reference function: theory and application to the study of chromium dimer

21 January 2018

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12 December 2020

The density matrix renormalization group self-consistent field method: orbital optimization with the density matrix renormalization group method in the active space

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12 December 2020

An energetic comparison of different models for the oxygen evolving complex of photosystem II

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12 December 2020

The effect of backbone constraints: the case of water oxidation by the oxygen-evolving complex in PSII

1 reference

12 December 2020

55Mn pulse ENDOR at 34 GHz of the S0 and S2 states of the oxygen-evolving complex in photosystem II

1 reference

12 December 2020

A structure-consistent mechanism for dioxygen formation in photosystem II

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12 December 2020

Accuracy of the density-matrix renormalization-group method

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12 December 2020

Modeling near-edge fine structure X-ray spectra of the manganese catalytic site for water oxidation in photosystem II

1 reference

12 December 2020

Two-state reactivity as a new concept in organometallic chemistry

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12 December 2020

Density matrix formulation for quantum renormalization groups

1 reference

12 December 2020

Orbital Configuration of the Valence Electrons, Ligand Field Symmetry, and Manganese Oxidation States of the Photosynthetic Water Oxidizing Complex: Analysis of the S(2) State Multiline EPR Signals

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12 December 2020

Identifiers

DOI

10.1038/NCHEM.1677

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7 February 2018

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7 February 2018