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Comprehensive force field for multiply-chlorinated hydrocarbons
dc.contributor.authorChough, Sung Hyoen_US
dc.contributor.authorKrimm, Samuelen_US
dc.date.accessioned2006-04-10T13:59:18Z
dc.date.available2006-04-10T13:59:18Z
dc.date.issued1990en_US
dc.identifier.citationChough, Sung Hyo, Krimm, Samuel (1990)."Comprehensive force field for multiply-chlorinated hydrocarbons." Spectrochimica Acta Part A: Molecular Spectroscopy 46(10): 1431-1438. <http://hdl.handle.net/2027.42/28955>en_US
dc.identifier.urihttp://www.sciencedirect.com/science/article/B6THM-44JM7ST-23/2/c9bb564e98dc234393c0c123dc929d17en_US
dc.identifier.urihttps://hdl.handle.net/2027.42/28955
dc.description.abstractA force field is presented that has been optimized for chlorinated hyrocarbons containing isolated, vicinal, and geminal secondary chlorines. For carbon--chlorine stretch modes, 74 frequencies in 10 molecules are reproduced with an average error of 4.5 cm-. This force field can therefore serve to study these conformation-dependent modes in multiply-chlorinated hydrocarbons.en_US
dc.format.extent578759 bytes
dc.format.extent3118 bytes
dc.format.mimetypeapplication/pdf
dc.format.mimetypetext/plain
dc.language.isoen_US
dc.publisherElsevieren_US
dc.titleComprehensive force field for multiply-chlorinated hydrocarbonsen_US
dc.typeArticleen_US
dc.rights.robotsIndexNoFollowen_US
dc.subject.hlbsecondlevelMaterials Science and Engineeringen_US
dc.subject.hlbsecondlevelChemistryen_US
dc.subject.hlbsecondlevelChemical Engineeringen_US
dc.subject.hlbsecondlevelBiological Chemistryen_US
dc.subject.hlbtoplevelEngineeringen_US
dc.subject.hlbtoplevelScienceen_US
dc.subject.hlbtoplevelHealth Sciencesen_US
dc.description.peerreviewedPeer Revieweden_US
dc.contributor.affiliationumDepartment of Physics and Macromolecular Research Center, University of Michigan, Ann Arbor, MI 48109, U.S.A.en_US
dc.contributor.affiliationumDepartment of Physics and Macromolecular Research Center, University of Michigan, Ann Arbor, MI 48109, U.S.A.en_US
dc.description.bitstreamurlhttp://deepblue.lib.umich.edu/bitstream/2027.42/28955/1/0000792.pdfen_US
dc.identifier.doihttp://dx.doi.org/10.1016/0584-8539(90)80057-6en_US
dc.identifier.sourceSpectrochimica Acta Part A: Molecular Spectroscopyen_US
dc.owningcollnameInterdisciplinary and Peer-Reviewed


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