Full metadata record
DC FieldValueLanguage
dc.contributor.authorZhang, Liweien_US
dc.contributor.authorYao, Lien_US
dc.contributor.authorLi, Qianen_US
dc.contributor.authorWang, Guiqiuen_US
dc.contributor.authorLin, S. H.en_US
dc.date.accessioned2015-07-21T11:21:09Z-
dc.date.available2015-07-21T11:21:09Z-
dc.date.issued2014-11-02en_US
dc.identifier.issn0026-8976en_US
dc.identifier.urihttp://dx.doi.org/10.1080/00268976.2014.915066en_US
dc.identifier.urihttp://hdl.handle.net/11536/123921-
dc.description.abstractAnharmonic and harmonic rate constants of the reactions have been calculated with the Rice-Ramsperger-Kassel-Marcus theory, and the anharmonic results are higher than the harmonic ones. The anharmonic effect and isotopic effect on the decomposition reactions have also been examined. The anharmonic effect in all the four reactions is obvious, especially at the high temperatures or energies. Relatively, the anharmonic effect on the reaction trans-acetic acid -> TS2 radical is the least obvious among the four reactions. In the microcanonical system, the difference of the rate constants between the deuterated results and the non-deuterated results is not negligible; in other words, the isotopic effect is obvious in all the four reactions. Among these reactions, three of the deuterated results (d, d3 and d4) have a big difference.en_US
dc.language.isoen_USen_US
dc.subjectanharmonic effecten_US
dc.subjectisotopic effecten_US
dc.subjectrate constanten_US
dc.subjectRRKM methoden_US
dc.subjectunimolecular reactionen_US
dc.titleAnharmonic effect of the unimolecular dissociation of CH3COOHen_US
dc.typeArticleen_US
dc.identifier.doi10.1080/00268976.2014.915066en_US
dc.identifier.journalMOLECULAR PHYSICSen_US
dc.citation.volume112en_US
dc.citation.issue21en_US
dc.citation.spage2853en_US
dc.citation.epage2871en_US
dc.contributor.department應用化學系zh_TW
dc.contributor.departmentDepartment of Applied Chemistryen_US
dc.identifier.wosnumberWOS:000344398700010en_US
dc.citation.woscount0en_US
Appears in Collections:Articles


Files in This Item:

  1. 000344398700010.pdf

If it is a zip file, please download the file and unzip it, then open index.html in a browser to view the full text content.