Energy barriers for alkaline hydrolysis of carboxylic acid esters in aqueous solution by reaction field calculations

Journal of Physical Chemistry A

Volumn 104, Issue 32, 2000, Pages 7672-7678

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

^a New York Presbyterian Columbia University Medical Center   (United States)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CARBOXYLIC ACIDS; CATALYSIS; ELECTRON ENERGY LEVELS; ELECTROSTATICS; ESTERS; HYDROGEN BONDS; MOLECULAR DYNAMICS; ORGANIC SOLVENTS; POLARIZATION; REACTION KINETICS; SOLUTIONS;

ALKALINE HYDROLYSIS; BIMOLECULAR BASE CATALYZED ACYL OXYGEN CLEAVAGE; BIMOLECULAR BASE CATALYZED ALKYL OXYGEN CLEAVAGE; CARBOXYLIC ACID ESTERS; ENERGY BARRIERS; SELF CONSISTENT REACTION FIELD;

HYDROLYSIS;

EID: 0034250628     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp001459i     Document Type: Article

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