Computational methods were used to study the experimental finding that forming decamethyldizincocene is more efficient when using a reducing agent (e.g., KH) and ZnCl2 as opposed to a sole ZnR2 reagant. The results show that the methyl groups of decamethylzincocene have an indirect effect on the reaction. When zincocene is used as a reactant, the reaction with KR favors the route that results in the formation of the zincate, K+[Zn(eta(1)-C5H5)(3)](-). However, the path of formation for the zincate K+[Zn(eta(1)-C5Me5)(3)](-) is simply not favorable kinetically or thermodynamically, so formation of decamethyldizincocene is the only option when decamethylzincocene is used.