About: Electronic Structure of Binuclear Mixed Valence Copper Azacryptates Derived from Integrated Advanced EPR and DFT Calculations

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scholarly article by Shifra Kababya et al published February 2006 in Journal of the American Chemical Society

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rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована в лютому 2006 (uk) im Februar 2006 veröffentlichter wissenschaftlicher Artikel (de) scholarly article by Shifra Kababya et al published February 2006 in Journal of the American Chemical Society (en)
publication date	wds:Q58010149-5BFCC36F-F962-438D-9797-C55AF57BD43F
publication date	2006-02-01 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q58010149-C3FECE14-28D0-441D-A2DB-64C0B1F9B80B
language of work or name	English
author name string	wds:Q58010149-2D9285D9-0A79-4278-A67E-9F11E61A16CE wds:Q58010149-3FBF7CD0-6BBB-4F04-AAA5-96573194BD22 wds:Q58010149-9213538B-9123-4478-9B3C-A9CECC742C11 wds:Q58010149-9F2C6042-8D50-42FF-9A75-9680420DECCC
author name string	Carlos Calle Daniella Goldfarb Jane Nelson Shifra Kababya
rdfs:label	Electronic Structure of Binuclear Mixed Valence Copper Azacryptates Derived from Integrated Advanced EPR and DFT Calculations (en) Electronic Structure of Binuclear Mixed Valence Copper Azacryptates Derived from Integrated Advanced EPR and DFT Calculations (nl)
skos:prefLabel	Electronic Structure of Binuclear Mixed Valence Copper Azacryptates Derived from Integrated Advanced EPR and DFT Calculations (en) Electronic Structure of Binuclear Mixed Valence Copper Azacryptates Derived from Integrated Advanced EPR and DFT Calculations (nl)
name	Electronic Structure of Binuclear Mixed Valence Copper Azacryptates Derived from Integrated Advanced EPR and DFT Calculations (en) Electronic Structure of Binuclear Mixed Valence Copper Azacryptates Derived from Integrated Advanced EPR and DFT Calculations (nl)
author	wds:Q58010149-6F31024E-A67E-4163-99D3-1FBDDC7DFBDD
author	Frank Neese
title	wds:Q58010149-4D51B19C-5E8B-497F-9D01-C51CDA7C2596
title	Electronic Structure of Binuclear Mixed Valence Copper Azacryptates Derived from Integrated Advanced EPR and DFT Calculations (en)
page(s)	wds:Q58010149-B639791F-046B-4659-8DF2-EBCDF347B4F5
page(s)	2017-2029
instance of	wds:Q58010149-5672A561-2B04-49E9-8332-F0C63DC1BCA4
instance of	scholarly article
main subject	wds:Q58010149-54F581A6-9D18-4019-B834-CF4C8CBCE4B4
main subject	copper
PubMed ID	wds:Q58010149-CCE910AA-3B56-46AC-823A-519098E81E6D
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/16464103
PubMed ID	16464103
published in	wds:Q58010149-CA0138AA-DEC2-4CDA-B0CF-0B3926233E10
published in	Journal of the American Chemical Society
issue	wds:Q58010149-8C6FBD5F-C273-4844-82AB-2BF24B8719D9
volume	wds:Q58010149-69E61870-2DFC-4EA8-9AB7-71E8A8A2198A
issue	6
volume	128
DOI	wds:Q58010149-6B286370-079F-41E8-BC00-6E55C2FCFB45
DOI	http://dx.doi.org/10.1021/JA056207F
DOI	10.1021/JA056207F
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q58010149
is cites work of	Metalloproteins containing cytochrome, iron-sulfur, or copper redox centers A critical evaluation of DFT, including time-dependent DFT, applied to bioinorganic chemistry Interaction of radical pairs through-bond and through-space: scope and limitations of the point-dipole approximation in electron paramagnetic resonance spectroscopy Performance of modern density functional theory for the prediction of hyperfine structure: meta-GGA and double hybrid functionals Walking the seven lines: binuclear copper A in cytochrome c oxidase and nitrous oxide reductase. Multireference ab initio calculations of g tensors for trinuclear copper clusters in multicopper oxidases Cleavage of the C-S bond with the formation of a binuclear copper complex with 2-thiolato-3-phenyl-5-(pyridine-2-ylmethylene)-3,5-dihydro-4H-imidazole-4-one. A new mimic of the active site of N2O reductase Multifrequency EPR studies of [Cu(1.5)Cu(1.5)](+) for Cu2(mu-NR2)2 and Cu2(mu-PR2)2 diamond cores Syntheses, structural characterisation and electronic structures of ferrocenyl-osmafuran heterobinuclear organometallic complexes. Quantum Chemistry and EPR Parameters
is cites work of	wds:Q37275850-EA31F1E7-D81A-4C11-A47F-6405C3EE1557 wds:Q37727718-B6CFB50C-68C5-495A-AE3C-4C8056A27066 wds:Q41054936-0CA0F383-DCF9-4D0D-9E3C-811C91141C8D wds:Q46529951-B12A30EA-7ACE-4632-B86C-4E56A86CB634 wds:Q47686689-AABE5AB6-5894-4AFB-862E-6CDC02E03090 wds:Q58010128-118B6785-492C-49E8-970F-15E2EE6B37A7 wds:Q37347120-6F1DDCDB-5FBA-40D1-A057-A3F58141BA3E wds:Q52446243-CDA8EA13-B4BA-4803-907E-7A5B1BA4B1B2 wds:Q58010143-3E66119B-0CB8-4426-A82A-DF7A97B2081C wds:Q58009347-DBDB471A-13A4-4A75-B5FC-E16B56B083E0

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