Ideal symmetry method for 4D models: Application for QSPR studies of alkanes and alkylbenzenes

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Abstract

A concept of chemical structure representation as a four-dimensional model is described. The 4D descriptors calculated for such models lead to slightly improved correlation equations (compared to those for topological and 3D descriptors) for the boiling points of alkanes and alkylbenzenes.

Original languageEnglish
Pages (from-to)456-460
Number of pages5
JournalJournal of Structural Chemistry
Volume40
Issue number3
Publication statusPublished - May 1999

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Physical and Theoretical Chemistry

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