Theoretical studies of competing reaction pathways and energy barriers for alkaline ester hydrolysis of cocaine

Journal of Physical Chemistry A

Volumn 105, Issue 8, 2001, Pages 1296-1301

  Zhan, Chang Guo ^a   Landry, Donald W ^b  

^a Columbia University ^*  (United States)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; CHARGE TRANSFER; COORDINATION REACTIONS; DECOMPOSITION; ELECTRON ENERGY LEVELS; ELECTRON TRANSITIONS; HYDROGEN BONDS; HYDROLYSIS; ORGANIC SOLVENTS; PROBABILITY DENSITY FUNCTION; PROTONS; SOLUTIONS;

AB INITIO MOLECULAR ORBITAL; ALKALINE ESTER HYDROLYSIS; BENZOYL ESTER; COCAINE; DENSITY FUNCTIONAL THEORY; FIRST TRANSITION STATE; METHYL ESTER GROUPS; PROTON TRANSFER; REACTION PATHWAYS;

ESTERS;

EID: 0035280395     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0023157     Document Type: Article

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