Ab initio charge distribution in tetracyclic norbornyl derivatives

Peter Rudolf Seidl, J. W. de, José Glauco R. Tostes, C. A. Taft, M. Dupuis

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)


Ab initio calculations using the 4-31 G basis set and optimized geometries by MM2 are used to investigate the charge distribution in two tetracyclic unsaturated alcohols containing norbornyl units. The calculated net charges reflect non-bonded compression by atoms that are close in space although several bonds distant. Evidence for a steric effect due to a double bond is presented.

Original languageEnglish
Pages (from-to)182-186
Number of pages5
JournalChemical Physics Letters
Issue number3
Publication statusPublished - Dec 4 1990

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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