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.
|Number of pages||5|
|Journal||Journal of Structural Chemistry|
|Publication status||Published - May 1999|
ASJC Scopus subject areas
- Inorganic Chemistry
- Physical and Theoretical Chemistry