About: DFT Investigation of H2 activation by [M(NHPnPr3)('S3')] (M = Ni, Pd). Insight into key factors relevant to the design of hydrogenase functional models

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About: DFT Investigation of H2 activation by [M(NHPnPr3)('S3')] (M = Ni, Pd). Insight into key factors relevant to the design of hydrogenase functional models Goto Sponge NotDistinct Permalink

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scientific article published on 01 September 2005

Attributes	Values
rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована у вересні 2005 (uk) artículu científicu espublizáu en setiembre de 2005 (ast) scientific article published on 01 September 2005 (en)
publication date	wds:Q81239193-9BE16AF8-DF6F-44A0-90D0-BCF00E496F9C
publication date	2005-09-01 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q81239193-01831171-CCB1-45F2-9F81-E6C6C7638088
language of work or name	English
rdfs:label	DFT Investigation of H2 activation by [M(NHPnPr3)('S3')] (M = Ni, Pd). Insight into key factors relevant to the design of hydrogenase functional models (en) DFT Investigation of H2 activation by [M(NHPnPr3)('S3')] (M = Ni, Pd). Insight into key factors relevant to the design of hydrogenase functional models (nl)
skos:prefLabel	DFT Investigation of H2 activation by [M(NHPnPr3)('S3')] (M = Ni, Pd). Insight into key factors relevant to the design of hydrogenase functional models (en) DFT Investigation of H2 activation by [M(NHPnPr3)('S3')] (M = Ni, Pd). Insight into key factors relevant to the design of hydrogenase functional models (nl)
name	DFT Investigation of H2 activation by [M(NHPnPr3)('S3')] (M = Ni, Pd). Insight into key factors relevant to the design of hydrogenase functional models (en) DFT Investigation of H2 activation by [M(NHPnPr3)('S3')] (M = Ni, Pd). Insight into key factors relevant to the design of hydrogenase functional models (nl)
author	wds:Q81239193-5D4CA4F4-1334-4524-92C9-20F788801093 wds:Q81239193-6AC8D3E5-90B8-4917-BB36-EE45B8F7A0AA wds:Q81239193-E8FB6F4A-B87B-438A-AB77-AAB593685637 wds:Q81239193-FCF84255-7732-42F0-B758-BD002F9776C7
author	Luca De Gioia Maurizio Bruschi Giuseppe Zampella Piercarlo Fantucci
title	wds:Q81239193-76A7B80D-0A20-4044-A24E-8C64F59F2646
title	DFT Investigation of H2 activation by [M(NHPnPr3)('S3')] (M = Ni, Pd). Insight into key factors relevant to the design of hydrogenase functional models (en)
page(s)	wds:Q81239193-5599C9DC-6E6A-4CAD-BDFF-0400D5DF57A4
page(s)	13180-13189
instance of	wds:Q81239193-613B4B10-11E7-4551-A5BD-A8EF62DD7700
instance of	scholarly article
PubMed ID	wds:Q81239193-BD7D6E57-1A36-4E11-9307-B476D8F1FF6B
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/16173745
PubMed ID	16173745
published in	wds:Q81239193-FDE6722A-D23A-4CB4-A238-63092C59013C
published in	Journal of the American Chemical Society
issue	wds:Q81239193-A47ED5F7-8E19-4224-9B9D-081EEC53E6C8
volume	wds:Q81239193-4E4E11CA-904A-4788-A17E-3240D81364E8
issue	38
volume	127
DOI	wds:Q81239193-FC209C32-DDB9-42BE-B1A1-FFC8B4C7D53C
DOI	http://dx.doi.org/10.1021/JA0508424
DOI	10.1021/JA0508424
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q81239193
is cites work of	Terminal vs bridging hydrides of diiron dithiolates: protonation of Fe2(dithiolate)(CO)2(PMe3)4. Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy Models for the hydrogenases put the focus where it should be--hydrogen. Computational approaches to shed light on molecular mechanisms in biological processes
is cites work of	wds:Q27323823-BA0B3744-61C6-4844-9440-8CD44C0EA869 wds:Q30574610-715972F9-74DA-44A2-81F0-0212B5371B16 wds:Q34671563-33C5D58C-8487-44E4-9820-FE3339234943 wds:Q39043995-6AFC7968-5640-4B8E-B436-34481893B31C

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