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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
Title | 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 |
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Authors | |
Issue Date | 1998 |
Publisher | Springer 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? |
Abstract | A 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 Identifier | http://hdl.handle.net/10722/148132 |
ISSN | 2023 Impact Factor: 1.7 2023 SCImago Journal Rankings: 0.460 |
References |
DC Field | Value | Language |
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dc.contributor.author | Lam, CW | en_US |
dc.date.accessioned | 2012-05-29T06:11:02Z | - |
dc.date.available | 2012-05-29T06:11:02Z | - |
dc.date.issued | 1998 | en_US |
dc.identifier.citation | Journal Of Mathematical Chemistry, 1998, v. 23 n. 3-4, p. 421-428 | en_US |
dc.identifier.issn | 0259-9791 | en_US |
dc.identifier.uri | http://hdl.handle.net/10722/148132 | - |
dc.description.abstract | A 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.language | eng | en_US |
dc.publisher | Springer Verlag Dordrecht. The Journal's web site is located at http://springerlink.metapress.com/openurl.asp?genre=journal&issn=0259-9791 | en_US |
dc.relation.ispartof | Journal of Mathematical Chemistry | en_US |
dc.title | 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 | en_US |
dc.type | Article | en_US |
dc.identifier.email | Lam, CW:ching-wanlam@pathology.hku.hk | en_US |
dc.identifier.authority | Lam, CW=rp00260 | en_US |
dc.description.nature | link_to_subscribed_fulltext | en_US |
dc.identifier.scopus | eid_2-s2.0-0032386669 | en_US |
dc.relation.references | http://www.scopus.com/mlt/select.url?eid=2-s2.0-0032386669&selection=ref&src=s&origin=recordpage | en_US |
dc.identifier.volume | 23 | en_US |
dc.identifier.issue | 3-4 | en_US |
dc.identifier.spage | 421 | en_US |
dc.identifier.epage | 428 | en_US |
dc.publisher.place | Netherlands | en_US |
dc.identifier.issnl | 0259-9791 | - |