About: Dimanganese catalase—spectroscopic parameters from broken-symmetry density functional theory of the superoxidized MnIII/MnIV state

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article by Sebastian Sinnecker et al published 14 April 2005 in Journal of Biological Inorganic Chemistry

Attributes	Values
rdf:type	Item
description	wetenschappelijk artikel (nl) article scientifique publié en 2005 (fr) наукова стаття, опублікована у квітні 2005 (uk) im April 2005 veröffentlichter wissenschaftlicher Artikel (de) article by Sebastian Sinnecker et al published 14 April 2005 in Journal of Biological Inorganic Chemistry (en)
publication date	wds:Q58010203-39D75769-1ABD-4284-99DE-B45BBF122BE0
publication date	2005-04-14 00:00:00Z (xsd:dateTime)
exact match	wds:Q58010203-B8016D0A-FA5B-4B6B-9500-DA3FFDA325EF
exact match	https://scigraph.springernature.com/pub.10.1007/s00775-005-0633-9
cites work	wds:Q58010203-03BCE457-6B5B-425E-92EA-59292608011E wds:Q58010203-04D5D783-216C-4EAF-96E6-5F6B1D845D81 wds:Q58010203-04EA87A1-AE1B-4995-860A-4490B9926F85 wds:Q58010203-072C374B-DA87-4A0C-BBCE-28E1CBF747B6 wds:Q58010203-28358007-A465-46BE-B184-89C39469BA83 wds:Q58010203-2FAAA07C-6CD8-4E28-AE7E-7E687D739025 wds:Q58010203-32B9D834-B749-45B3-B680-621FDD7D83B8 wds:Q58010203-35A35867-317C-40C1-8398-F8E58A8BCA88 wds:Q58010203-38F3EE2F-4F1F-4655-985A-40E453C4EBC8 wds:Q58010203-406D56DA-1CF4-46E2-96A5-F6B53AF8530D wds:Q58010203-412F1796-EB7F-4E04-B9CC-04D18F30ED5D wds:Q58010203-4981F45C-79F6-4963-B250-2221595AB66A wds:Q58010203-4B06AA2A-D5F6-4E05-A05B-D9CFD2439718 wds:Q58010203-571E1965-C562-4EC4-B6CB-00D7E862CF5D wds:Q58010203-57F24DE1-8945-441A-BFA7-C72DA313F474 wds:Q58010203-5A94B799-CD2D-445C-B13E-B17013782E83 wds:Q58010203-66E33AE5-055A-4F8C-AD88-29B56E370777 wds:Q58010203-6BB4BB56-5B8E-4C25-ABB6-284A3B1E8C8C wds:Q58010203-7541A133-2305-48F5-B8D1-8EA527D5314F wds:Q58010203-7CAFA122-E9F6-461A-959B-790816228D0C wds:Q58010203-87940482-69DA-4982-A933-A5D87C904186 wds:Q58010203-93637C40-A373-46DD-B294-731C7D6AF95D wds:Q58010203-B7BA4970-238C-4FC2-BF05-A205AF4259B4 wds:Q58010203-BA4A56FE-3113-408F-884D-BFAAFBFCAD3F wds:Q58010203-BDFC7005-10AE-4041-BAF4-E18171F499EF wds:Q58010203-BE91792A-31DE-486F-BFC1-8582F6D16536 wds:Q58010203-C46540B2-3CCC-4E9F-AEA2-0883ADDE7CD4 wds:Q58010203-E7BACEF5-9F14-47FC-B7FD-5B1BEE02BFEF wds:Q58010203-FB1BF426-9EA7-4C52-BF4C-ED40D48AC44D
cites work	Manganese clusters with relevance to photosystem II. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Density-functional exchange-energy approximation with correct asymptotic behavior The Protein Data Bank Quantum chemical calculations of spectroscopic properties of metalloproteins and model compounds: EPR and Mössbauer properties Structural, spectroscopic, and reactivity models for the manganese catalases. Sliding helix and change of coordination geometry in a model di-MnII protein EXAFS comparison of the dimanganese core structures of manganese catalase, arginase, and manganese-substituted ribonucleotide reductase and hemerythrin Density-functional approximation for the correlation energy of the inhomogeneous electron gas Manganese Enzymes with Binuclear Active Sites Crystal structure of manganese catalase from Lactobacillus plantarum Isolation and characterization of the pseudocatalase of Lactobacillus plantarum Quantum chemical studies of intermediates and reaction pathways in selected enzymes and catalytic synthetic systems Erratum: Density-functional approximation for the correlation energy of the inhomogeneous electron gas Mechanism of manganese catalase peroxide disproportionation: determination of manganese oxidation states during turnover The oxidized (3,3) state of manganese catalase. Comparison of enzymes from Thermus thermophilus and Lactobacillus plantarum Calculating the electron paramagnetic resonance parameters of exchange coupled transition metal complexes using broken symmetry density functional theory: application to a MnIII/MnIV model compound. Inactivation and reactivation of manganese catalase: oxidation-state assignments using X-ray absorption spectroscopy DFT description of the magnetic properties and electron localization in dinuclear di-mu-oxo-bridged manganese complexes. Magnetic exchange in [Mn2(mu-O)3(tmtacn)2]2+: metal-metal bonding or superexchange? Quantum chemical studies of manganese centers in biology Single crystal X- and Q-band EPR spectroscopy of a binuclear Mn(2)(III,IV) complex relevant to the oxygen-evolving complex of photosystem II. Direct measurement of the hyperfine and g-tensors of a Mn(III)-Mn(IV) complex in polycrystalline and frozen solution samples by high-field EPR. Density Functional Calculations of Electronic Structure, Charge Distribution, and Spin Coupling in Manganese-Oxo Dimer Complexes Pulsed EPR studies of the binuclear Mn(III)Mn(IV) center in catalase from Thermus thermophilus Oxidation state dependence of the geometry, electronic structure, and magnetic coupling in mixed oxo- and carboxylato-bridged manganese dimers Synthesis, crystal structure and properties of a new dinuclear manganese(III) complex: a mimic for catalase Preparation of highly efficient manganese catalase mimics. The Existence of Two Oxidized Mn(III)Mn(III) Forms of Thermus thermophilus Manganese Catalase
author name string	wds:Q58010203-67D58953-E315-4AD0-AE5C-798F705F9F79
author name string	Sebastian Sinnecker
rdfs:label	Dimanganese catalase—spectroscopic parameters from broken-symmetry density functional theory of the superoxidized MnIII/MnIV state (en) Dimanganese catalase—spectroscopic parameters from broken-symmetry density functional theory of the superoxidized MnIII/MnIV state (nl)
skos:prefLabel	Dimanganese catalase—spectroscopic parameters from broken-symmetry density functional theory of the superoxidized MnIII/MnIV state (en) Dimanganese catalase—spectroscopic parameters from broken-symmetry density functional theory of the superoxidized MnIII/MnIV state (nl)
name	Dimanganese catalase—spectroscopic parameters from broken-symmetry density functional theory of the superoxidized MnIII/MnIV state (en) Dimanganese catalase—spectroscopic parameters from broken-symmetry density functional theory of the superoxidized MnIII/MnIV state (nl)
author	wds:Q58010203-613398EF-8E1F-46C5-9725-DEDC8126A9F9 wds:Q58010203-8F4E61BA-50B0-4525-BF2A-CA58E4D5F7F8
author	Frank Neese Wolfgang Lubitz
title	wds:Q58010203-ADE9029C-1500-49BD-A0A3-9AD68AF32BA9
title	Dimanganese catalase—spectroscopic parameters from broken-symmetry density functional theory of the superoxidized MnIII/MnIV state (en)
page(s)	wds:Q58010203-5E966428-1DF5-4E68-BAF9-27B63CB6AD06
page(s)	231-238
instance of	wds:Q58010203-1428D7D6-BC33-47F9-8AE1-AB7C8C68FEFD
instance of	scholarly article
main subject	wds:Q58010203-6E3E7784-133A-4158-9A00-734479937457
main subject	density functional theory
PubMed ID	wds:Q58010203-B8C12A29-8E87-4859-A2AD-873B8426FECD
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/15830216
PubMed ID	15830216
published in	wds:Q58010203-31572BC3-BD39-412C-96B5-E9DFAA9BF8E4
published in	Journal of Biological Inorganic Chemistry
issue	wds:Q58010203-21FD0370-3889-42B8-8C0F-E44B001583D3
volume	wds:Q58010203-8E3D5128-865D-4367-B6A9-8E1B8B637F63
issue	3
volume	10
DOI	wds:Q58010203-A0F39CCF-D68A-41C6-9D72-722289FF1517
DOI	http://dx.doi.org/10.1007/S00775-005-0633-9
DOI	10.1007/S00775-005-0633-9

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