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Issue 16, 2007
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Supermolecule density functional calculations suggest a key role for solvent in alkaline hydrolysis of p-nitrophenyl phosphate

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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.

Graphical abstract: Supermolecule density functional calculations suggest a key role for solvent in alkaline hydrolysis of p-nitrophenyl phosphate

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Supplementary files

Article information


Submitted
08 Dec 2006
Accepted
23 Jan 2007
First published
06 Feb 2007

Chem. Commun., 2007, 1638-1640
Article type
Communication

Supermolecule density functional calculations suggest a key role for solvent in alkaline hydrolysis of p-nitrophenyl phosphate

L. Zhang, D. Xie, D. Xu and H. Guo, Chem. Commun., 2007, 1638
DOI: 10.1039/B617946K

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