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

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7 February 2018

Garnet Kin-Lic Chan

series ordinal

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7 February 2018

Takeshi Yanai

series ordinal

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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

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7 February 2018

issue

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7 February 2018

page(s)

660-666

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7 February 2018

UN NOUVEAU MODELE DES CENTRES PHOTOCHIMIQUES DU SYSTEME II

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Oxidation state changes of the Mn4Ca cluster in photosystem II.

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

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

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Insights into current limitations of density functional theory.

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The renormalization group: Critical phenomena and the Kondo problem

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The density-matrix renormalization group

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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

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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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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

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Evidence for wavelike energy transfer through quantum coherence in photosynthetic systems

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Accurate ab Initio Spin Densities

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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

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

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

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

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

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A structure-consistent mechanism for dioxygen formation in photosystem II

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

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12 December 2020

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Density matrix formulation for quantum renormalization groups

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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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Identifiers

DOI

10.1038/NCHEM.1677

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7 February 2018

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7 February 2018