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Magnetic Separation Device Art Number 8 24130

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Rotary Kiln

2003121  Herein we present results from a computational study of dinickel complexes that are relevant to the catalytic hydrolysis of urea exerted by the urease enymes. The B3LYP density functional is used to characterie the equilibrium geometry electronic and magnetic properties and energies for a series of realistic complexes modeling the active site of ureases.

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