1. Ktisis Cyprus University of Technology
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Please use this identifier to cite or link to this item: https://hdl.handle.net/20.500.14279/1171
DC FieldValueLanguage
dc.contributor.authorOhta, Takehiro-
dc.contributor.authorKitagawa, Teizo-
dc.contributor.authorVarotsis, Constantinos-
dc.contributor.otherΒαρώτσης, Κωνσταντίνος-
dc.date.accessioned2013-01-17T12:09:49Zen
dc.date.accessioned2013-05-16T06:25:23Z-
dc.date.accessioned2015-12-02T08:52:24Z-
dc.date.available2013-01-17T12:09:49Zen
dc.date.available2013-05-16T06:25:23Z-
dc.date.available2015-12-02T08:52:24Z-
dc.date.issued2006-03-14-
dc.identifier.citationInorganic chemistry, 2006, vol. 45, no. 8, pp. 3187-3190en_US
dc.identifier.issn201669-
dc.identifier.urihttps://hdl.handle.net/20.500.14279/1171-
dc.description.abstractWe have applied density functional theory to characterize the bimetallic-bridging intermediate in the reduction of NO to N 2O by heme-copper oxidoreductases. The present study provides information of the electronic and vibrational structure of the putative intermediate, and thus, it forms the basis for a quantitative accurate atomic-level description of the key steps in the N-N bond formation and the N-O bond cleavage mechanismen_US
dc.formatpdfen_US
dc.language.isoenen_US
dc.relation.ispartofInorganic Chemistryen_US
dc.rights© American Chemical Societyen_US
dc.subjectCopperen_US
dc.subjectChemistryen_US
dc.subjectIronen_US
dc.subjectNitric oxideen_US
dc.subjectNitrous oxideen_US
dc.subjectOxidation-reduction reactionen_US
dc.subjectOxidoreductasesen_US
dc.titleCharacterization of a bimetallic-bridging intermediate in the reduction of NO to N 2O: a density functional theory studyen_US
dc.typeArticleen_US
dc.affiliationUniversity of Creteen
dc.collaborationUniversity of Creteen_US
dc.journalsSubscriptionen_US
dc.countryCyprusen_US
dc.subject.fieldEngineering and Technologyen_US
dc.publicationPeer Revieweden_US
dc.identifier.doi10.1021/ic050991nen_US
dc.dept.handle123456789/54en
dc.relation.issue8en_US
dc.relation.volume45en_US
cut.common.academicyear2006-2007en_US
dc.identifier.spage3187en_US
dc.identifier.epage3190en_US
item.languageiso639-1en-
item.cerifentitytypePublications-
item.openairecristypehttp://purl.org/coar/resource_type/c_6501-
item.fulltextNo Fulltext-
item.grantfulltextnone-
item.openairetypearticle-
crisitem.journal.journalissn1520-510X-
crisitem.journal.publisherAmerican Chemical Society-
crisitem.author.deptDepartment of Chemical Engineering-
crisitem.author.facultyFaculty of Geotechnical Sciences and Environmental Management-
crisitem.author.orcid0000-0003-2771-8891-
crisitem.author.parentorgFaculty of Geotechnical Sciences and Environmental Management-
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