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A possible new process of activation of the OOH group in the mechanism of ethylene epoxidation catalysed by Pt(II) diphosphine complexes has been investigated by ab initio MO-LCAO calculations. The electronic and geometric features of YOOH species (Y = H, CH 3 , t-But, CF 3 , CH 3 CO, (PH 3 ) 2 Pt(CF 3 ), (PH 3 ) 2 PtCl) have been evaluated...
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