ELECTRONIC STRUCTURES AND REACTIVITY OF EIGHT MIXED-LIGAND COMPLEXES OF CALCIUM ACETATE BY A QUANTUM-CHEMICAL METHOD
DOI:
https://doi.org/10.17605/OSF.IO/396NAKeywords:
Coordination compounds, composition, ligands, mixed amide, structureAbstract
In the present work, the results of calculations of the electronic structure of eight mixed-amide complex compounds of calcium acetate with semi-empirical PM3 methods using the molecular orbital method are carried out, and the energy characteristics of eight new coordination compounds are compared. The calculations were carried out by the semi-empirical PM3 method in the Hyper-Chem.8-07 software package.







