Enthalpy-of-formation calculations for monosubstituted hydrocarbons

Autor: Vysotskii, Yu. B., Éilazyan, É. G.
Zdroj: Theoretical and Experimental Chemistry; September 1991, Vol. 27 Issue: 5 p551-554, 4p
Abstrakt: A model previously developed in the p-electron approximation to describe the effects of substituents on molecular properties has been generalized, to take into account all valence electrons (the MINDO/3 method), and used in the enthalpy-offormation calculations. The model has been tested on four classes of hydrocarbons.
Databáze: Supplemental Index