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A theoretical approach was used to investigate the hydrolytic cleavage mechanisms of the bis( p -nitrophenyl) phosphate (BNPP − ) catalyzed by Zn( ii )-complexes featuring uncoordinated nucleophiles.

rsc advances

Unraveling mechanisms of the uncoordinated nucleophiles: theoretical elucidations of the cleavage of bis(<i>p</i>-nitrophenyl) phosphate mediated by zinc-complexes with apical nucleophiles

Unraveling mechanisms of the uncoordinated nucleophiles: theoretical elucidations of the cleavage of bis(p-nitrophenyl) phosphate mediated by zinc-complexes with apical nucleophiles