Theoretical determination of activation free energies for alkaline hydrolysis of cyclic and acyclic phosphodiesters in aqueous solution

Journal of Physical Chemistry A

Volumn 108, Issue 30, 2004, Pages 6407-6413

  Chen, Xi ^a   Zhan, Chang Guo ^b  

^a CENTRAL CHINA NORMAL UNIVERSITY   (China)

^b University of Kentucky   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; ALKALINITY; CARBOXYLIC ACIDS; DNA; ELECTRONIC STRUCTURE; ETHYLENE; FREE ENERGY; GIBBS FREE ENERGY; HYDROLYSIS; PHOSPHATES; SOLVENTS; SURFACE PROPERTIES;

ACTIVATION FREE ENERGY; DIMETHYL PHOSPHATE (DMP); ETHYLENE PHOSPHATE (EP); FULLY POLARIZABLE CONTINUUM MODEL (FPCM); MONOESTERS;

ESTERS;

EID: 84961980728     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp049938v     Document Type: Article

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