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Mechanism of Alkaline Hydrolysis of Cyclic and Acyclic Sulfates: An ab Initio Study with Solvation Correction

✍ Scribed by Lopez, Xabier; Dejaegere, Annick; Karplus, Martin

Book ID
127307007
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
174 KB
Volume
121
Category
Article
ISSN
0002-7863

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Alkaline hydrolysis of ethylene phosphat
Alkaline hydrolysis of ethylene phosphate: An ab initio study by supermolecule model and polarizable continuum approach
✍ Futing Xia; Hua Zhu πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 461 KB

## Abstract The alkaline hydrolysis reaction of ethylene phosphate (EP) has been investigated using a supermolecule model, in which several explicit water molecules are included. The structures and single‐point energies for all of the stationary points are calculated in the gas phase and in solutio