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  • Title: Supermolecule density functional calculations suggest a key role for solvent in alkaline hydrolysis of p-nitrophenyl phosphate.
    Author: Zhang L, Xie D, Xu D, Guo H.
    Journal: Chem Commun (Camb); 2007 Apr 28; (16):1638-40. PubMed ID: 17530085.
    Abstract:
    Supermolecule density functional theory calculations show that solvent is responsible for the concerted transition state in alkaline hydrolysis of p-nitrophenyl phosphate suggested by heavy atom kinetic isotope effects.
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