Reaction pathways and energy barriers for alkaline hydrolysis of carboxylic acid esters in water studied by a hybrid supermolecule-polarizable continuum approach

Journal of the American Chemical Society

Volumn 122, Issue 11, 2000, Pages 2621-2627

  Zhan, Chang Guo ^a   Landry, Donald W ^a   Ornstein, Rick L ^b  

^a Columbia University ^*  (United States)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACETIC ACID DERIVATIVE; ESTER; FORMIC ACID DERIVATIVE; SOLVENT; WATER;

AQUEOUS SOLUTION; ARTICLE; DECOMPOSITION; ENERGY TRANSFER; HYDROGEN BOND; HYDROLYSIS; MOLECULAR HYBRIDIZATION; PROTON TRANSPORT; REACTION ANALYSIS;

EID: 0034701314     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9937932     Document Type: Article

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