Reaction Intermediates of CO Oxidation on Gas Phase Pd Clusters: A Density Functional Study.
The article focuses on a research about the structure and energetics of reaction intermediates in carbon monoxide (CO) oxidation by neutral and charged Pd. It states that scalar relativistic density functional theory (DFT) calculation was used in the study. It also cites three reaction pathways for...
| Publicado en: | Journal of the American Chemical Society Vol. 131; no. 37; pp. 13252 - 13255 |
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| Autores principales: | , |
| Formato: | Artículo |
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American Chemical Society
9/23/2009
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| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=44490750&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 44490750 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 9/23/2009 vid: 131 iid: 37 pid: 997 pub: American Chemical Society artinfo: ui: 44490750 10.1021/ja904119b ppf: 13252 ppct: 3 formats: tig: atl: Reaction Intermediates of CO Oxidation on Gas Phase Pd Clusters: A Density Functional Study. aug: au: Kalita, Bulumoni Deka, Ramesh C. affil: Department of Chemical Sciences, Tezpur University, Tezpur 784028, Assam, India su: Intermediates (Chemistry) Carbon monoxide Density functionals Palladium catalysts Oxidation sug: subj: Intermediates (Chemistry) Carbon monoxide Density functionals Palladium catalysts Oxidation ab: The article focuses on a research about the structure and energetics of reaction intermediates in carbon monoxide (CO) oxidation by neutral and charged Pd. It states that scalar relativistic density functional theory (DFT) calculation was used in the study. It also cites three reaction pathways for CO oxidation over Pd clusters. Results show that Pd and Pd clusters are better catalysts than Pd. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2009 holdings: @attributes: islocal: N |
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