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Article: A mathematical relationship between the number of isomers of alkenes and alkynes: A result established from the enumeration of isomers of alkenes from alkyl biradicals

TitleA mathematical relationship between the number of isomers of alkenes and alkynes: A result established from the enumeration of isomers of alkenes from alkyl biradicals
Authors
Issue Date1998
PublisherSpringer Verlag Dordrecht. The Journal's web site is located at http://springerlink.metapress.com/openurl.asp?genre=journal&issn=0259-9791
Citation
Journal Of Mathematical Chemistry, 1998, v. 23 n. 3-4, p. 421-428 How to Cite?
AbstractA simple and fast algorithm for enumerating alkene isomers is described. This algorithm is based on a 2-step hypothetical chemical reaction. In the first step, an alkane molecule loses two protons becoming an alkyl biradical. In the second step, two alkyl biradicals react to form an alkene molecule. By using two sequential recursive algorithms, the number of computational terms in the enumeration process is much less than when using the Henze-Blair algorithm. By using this simple algorithm, the numbers of constitutional isomers of alkenes and alkynes for carbon content greater than 30 are easily enumerated. In addition, through this algorithm, a mathematical relationship between the number of constitutional isomers of alkenes and alkynes has been established for the first time.
Persistent Identifierhttp://hdl.handle.net/10722/148132
ISSN
2015 Impact Factor: 1.056
2015 SCImago Journal Rankings: 0.497
References

 

DC FieldValueLanguage
dc.contributor.authorLam, CWen_US
dc.date.accessioned2012-05-29T06:11:02Z-
dc.date.available2012-05-29T06:11:02Z-
dc.date.issued1998en_US
dc.identifier.citationJournal Of Mathematical Chemistry, 1998, v. 23 n. 3-4, p. 421-428en_US
dc.identifier.issn0259-9791en_US
dc.identifier.urihttp://hdl.handle.net/10722/148132-
dc.description.abstractA simple and fast algorithm for enumerating alkene isomers is described. This algorithm is based on a 2-step hypothetical chemical reaction. In the first step, an alkane molecule loses two protons becoming an alkyl biradical. In the second step, two alkyl biradicals react to form an alkene molecule. By using two sequential recursive algorithms, the number of computational terms in the enumeration process is much less than when using the Henze-Blair algorithm. By using this simple algorithm, the numbers of constitutional isomers of alkenes and alkynes for carbon content greater than 30 are easily enumerated. In addition, through this algorithm, a mathematical relationship between the number of constitutional isomers of alkenes and alkynes has been established for the first time.en_US
dc.languageengen_US
dc.publisherSpringer Verlag Dordrecht. The Journal's web site is located at http://springerlink.metapress.com/openurl.asp?genre=journal&issn=0259-9791en_US
dc.relation.ispartofJournal of Mathematical Chemistryen_US
dc.titleA mathematical relationship between the number of isomers of alkenes and alkynes: A result established from the enumeration of isomers of alkenes from alkyl biradicalsen_US
dc.typeArticleen_US
dc.identifier.emailLam, CW:ching-wanlam@pathology.hku.hken_US
dc.identifier.authorityLam, CW=rp00260en_US
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.scopuseid_2-s2.0-0032386669en_US
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0032386669&selection=ref&src=s&origin=recordpageen_US
dc.identifier.volume23en_US
dc.identifier.issue3-4en_US
dc.identifier.spage421en_US
dc.identifier.epage428en_US
dc.publisher.placeNetherlandsen_US

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