DC Field | Value | Language |
---|---|---|
dc.contributor.author | Zhang, Xinhao | ko |
dc.contributor.author | Schlangen, Maria | ko |
dc.contributor.author | Baik, Mu-Hyun | ko |
dc.contributor.author | Dede, Yavuz | ko |
dc.contributor.author | Schwarz, H | ko |
dc.date.accessioned | 2016-04-12T07:38:37Z | - |
dc.date.available | 2016-04-12T07:38:37Z | - |
dc.date.created | 2015-09-11 | - |
dc.date.created | 2015-09-11 | - |
dc.date.issued | 2009 | - |
dc.identifier.citation | HELVETICA CHIMICA ACTA, v.92, no.1, pp.151 - 164 | - |
dc.identifier.issn | 0018-019X | - |
dc.identifier.uri | http://hdl.handle.net/10203/203321 | - |
dc.description.abstract | An extensive density-functional theory (DFT) study has been conducted to shed light on the mechanisms of the recently reported gas-phase ion-molecule reactions of mass-selected [Ni(H)(OH)](-) with O-2 (M. Schlangen, H. Schwarz, Helv. Chim. Acta 2008, 91, 379). Except for the liberation of OH from the encounter complex, all of the other highly atom-specific processes can be explained in a consistent manner. | - |
dc.language | English | - |
dc.publisher | WILEY-BLACKWELL | - |
dc.subject | FORBIDDEN CHEMICAL-REACTIONS | - |
dc.subject | DENSITY-FUNCTIONAL THEORY | - |
dc.subject | PD-MEDIATED ACTIVATION | - |
dc.subject | GAS-PHASE CHEMISTRY | - |
dc.subject | HYDRIDE BOND | - |
dc.subject | ELECTRONIC STATES | - |
dc.subject | DIOXIDE CATION | - |
dc.subject | ION CHEMISTRY | - |
dc.subject | OXIDE CATIONS | - |
dc.subject | C-C | - |
dc.title | DFT Studies on the Thermal Activation of Molecular Oxygen by Bare [Ni(H)(OH)](+) | - |
dc.type | Article | - |
dc.identifier.wosid | 000263097100013 | - |
dc.identifier.scopusid | 2-s2.0-59649122399 | - |
dc.type.rims | ART | - |
dc.citation.volume | 92 | - |
dc.citation.issue | 1 | - |
dc.citation.beginningpage | 151 | - |
dc.citation.endingpage | 164 | - |
dc.citation.publicationname | HELVETICA CHIMICA ACTA | - |
dc.contributor.localauthor | Baik, Mu-Hyun | - |
dc.contributor.nonIdAuthor | Zhang, Xinhao | - |
dc.contributor.nonIdAuthor | Schlangen, Maria | - |
dc.contributor.nonIdAuthor | Dede, Yavuz | - |
dc.contributor.nonIdAuthor | Schwarz, H | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordPlus | FORBIDDEN CHEMICAL-REACTIONS | - |
dc.subject.keywordPlus | DENSITY-FUNCTIONAL THEORY | - |
dc.subject.keywordPlus | PD-MEDIATED ACTIVATION | - |
dc.subject.keywordPlus | GAS-PHASE CHEMISTRY | - |
dc.subject.keywordPlus | HYDRIDE BOND | - |
dc.subject.keywordPlus | ELECTRONIC STATES | - |
dc.subject.keywordPlus | DIOXIDE CATION | - |
dc.subject.keywordPlus | ION CHEMISTRY | - |
dc.subject.keywordPlus | OXIDE CATIONS | - |
dc.subject.keywordPlus | C-C | - |
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