Features of the molecular structure of organochromiumoxane yttriumoxane alumoxane oligomers

Geometric parameters of one of the probable molecular structures of amorphous organochromiumoxane yttriumoxane alumoxane oligomers have been calculated using self-consistent field methods (Hartree-Fock method) and semi-empirical PM3 method in the HyperChem 6.01 software package. Bond lengths, valence angles, and the results of quantum-chemical calculations of the total energy for the selected molecular structure of the amorphous oligomer are presented.

Automated summary

In this study, geometric parameters of a possible molecular structure of amorphous organochromiumoxane yttriumoxane alumoxane oligomers were calculated using self-consistent field methods and semi-empirical PM3 method in the HyperChem 6.01 software package. The study presents bond lengths, valence angles, and the total energy results of quantum-chemical calculations for the selected molecular structure of the amorphous oligomer.