1.
Bruns R. E., Oliveira J. B. L., Ferreira M. M. C., “Similarity Transference of Atomic Polar Tensors”. São Carlos, SP, Brazil, 09-11/12/1985: 3° Simpósio de Química Teórica [The 3rd Symposium of Theoretical Chemistry], Anais [Annals] 60-65 (1985). Poster.
[Article. More information about the meeting see at Notes.]

Abstract.
A similarity transference procedure based on the pattern recognition technique of SIMCA and PLS is proposed for the estimation of molecular parameters. The method is tested by calculating fluorine polar tensor elements of a reference set containing the CH₃F, CH₂F₂, CF₃, F₂CO, 1,1-C₂H₂F₂, cis-C₂H₂F₂, trans-C₂H₂F₂ and NF₃ molecules. Comparison of the polar tensor predictions based on simple transference procedures normally used and the more gneeral similarity transferences method illustrates the advantages of the latter technique.

Keywords.

Keywords Plus.