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Conference Paper: An ab initio study of the reactions of CH2X-X (X=Cl, Br, I) isopolyhalomethanes with nCH3OH

TitleAn ab initio study of the reactions of CH2X-X (X=Cl, Br, I) isopolyhalomethanes with nCH3OH
Authors
Lin, XZhao, CPhillips, DL
KeywordsAb Initio
Isodihalomethane
Methanol
Oh Insertion Reaction
Issue Date2005
PublisherTaylor & Francis Ltd. The Journal's web site is located at http://www.tandf.co.uk/journals/titles/08927022.asp
Citation
Molecular Simulation, 2005, v. 31 n. 6-7, p. 483-488 How to Cite?
DOI: http://dx.doi.org/10.1080/08927020412331337050
AbstractAn ab initio investigation of the reactions of the CH2X-X (X=Cl, Br, I) isodihalomethanes with nCH3OH is reported. The reactions are found to be catalyzed by the methanol molecules and the barriers to reaction increase as the halogen atoms are varied from Cl to Br to I. © 2005 Taylor & Francis Group Ltd.
Persistent Identifierhttp://hdl.handle.net/10722/168817
ISSN
0892-7022
2021 Impact Factor: 2.346
2020 SCImago Journal Rankings: 0.453
ISI Accession Number ID
WOS:000231311700013
References
References in Scopus

 

DC FieldValueLanguage
dc.contributor.authorLin, Xen_US
dc.contributor.authorZhao, Cen_US
dc.contributor.authorPhillips, DLen_US
dc.date.accessioned2012-10-08T03:34:35Z-
dc.date.available2012-10-08T03:34:35Z-
dc.date.issued2005en_US
dc.identifier.citationMolecular Simulation, 2005, v. 31 n. 6-7, p. 483-488en_US
dc.identifier.issn0892-7022en_US
dc.identifier.urihttp://hdl.handle.net/10722/168817-
dc.description.abstractAn ab initio investigation of the reactions of the CH2X-X (X=Cl, Br, I) isodihalomethanes with nCH3OH is reported. The reactions are found to be catalyzed by the methanol molecules and the barriers to reaction increase as the halogen atoms are varied from Cl to Br to I. © 2005 Taylor & Francis Group Ltd.en_US
dc.languageengen_US
dc.publisherTaylor & Francis Ltd. The Journal's web site is located at http://www.tandf.co.uk/journals/titles/08927022.aspen_US
dc.relation.ispartofMolecular Simulationen_US
dc.rightsPREPRINT This is a preprint of an article whose final and definitive form has been published in the Molecular Simulation 2005 [copyright Taylor & Francis]; Molecular Simulation is available online at: http://www.informaworld.com/smpp/ with the open URL of your article POSTPRINT ‘This is an electronic version of an article published in [include the complete citation information for the final version of the article as published in the print edition of the journal]. Molecular Simulation is available online at: http://www.informaworld.com/smpp/ with the open URL of your article.-
dc.subjectAb Initioen_US
dc.subjectIsodihalomethaneen_US
dc.subjectMethanolen_US
dc.subjectOh Insertion Reactionen_US
dc.titleAn ab initio study of the reactions of CH2X-X (X=Cl, Br, I) isopolyhalomethanes with nCH3OHen_US
dc.typeConference_Paperen_US
dc.identifier.emailPhillips, DL:phillips@hku.hken_US
dc.identifier.authorityPhillips, DL=rp00770en_US
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.doi10.1080/08927020412331337050en_US
dc.identifier.scopuseid_2-s2.0-22144469469en_US
dc.identifier.hkuros99144-
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-22144469469&selection=ref&src=s&origin=recordpageen_US
dc.identifier.volume31en_US
dc.identifier.issue6-7en_US
dc.identifier.spage483en_US
dc.identifier.epage488en_US
dc.identifier.isiWOS:000231311700013-
dc.publisher.placeUnited Kingdomen_US
dc.identifier.scopusauthoridLin, X=35205535200en_US
dc.identifier.scopusauthoridZhao, C=7403563836en_US
dc.identifier.scopusauthoridPhillips, DL=7404519365en_US
dc.identifier.citeulike255298-
dc.identifier.issnl0892-7022-

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