Explaining some anomalies in catalytic activity values in some zirconocene methyl cations: Local hyper-softness

Some metallocene methyl cations made of zirconium, that have been used as catalysts in polymerization of ethylene, were studied by means of the conceptual density functional theory (DFT). Up to now, catalytic activity, a pure experimental parameter, that measures the kilograms of polyethylene produc