Atom – bond connectivity and the energetic of branched alkanes

@inproceedings{Estrada2008AtomB,
  title={Atom – bond connectivity and the energetic of branched alkanes},
  author={Ernesto Estrada},
  year={2008}
}
0009-2614/$ see front matter 2008 Elsevier B.V. A doi:10.1016/j.cplett.2008.08.074 * Fax: +44 01234 264722. E-mail address: estrada66@yahoo.com Here we introduce a new topological approach which provides a good model for the stability of linear and branched alkanes as well as the strain energy of cycloalkanes. We find that the ratio of 1,3-interactions with respect to the total number of 1,2-, 1,3and 1,4-interactions plays a fundamental stabilizing role in the energetic of alkanes. These… CONTINUE READING

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