First-principle studies of intermolecular and intramolecular catalysis of protonated cocaine

Journal of Computational Chemistry

Volumn 26, Issue 10, 2005, Pages 980-986

  Zhan, Chang Guo ^a,b   Deng, Shi Xian ^a   Skiba, Jaime G ^c   Hayes, Beth A ^c   Tschampel, Sarah M ^c   Shields, George C ^c   Landry, Donald W ^a  

^a Columbia University ^*  (United States)

^b University of Kentucky   (United States)

^c HAMILTON COLLEGE   (United States)

Author keywords

First principle studies; Intermolecular catalysis; Intramolecular catalysis; Protonated cocaine

Indexed keywords

ANTIBODIES; CATALYSTS; CONFORMATIONS; ELECTRONIC STRUCTURE; ESTERS; FREE ENERGY; HYDROGEN BONDS; HYDROLYSIS; PHYSIOLOGY; SYNTHESIS (CHEMICAL);

FIRST-PRINCIPLE STUDIES; INTERMOLECULAR CATALYSIS; INTRAMOLECULAR CATALYSIS; PROTONATED COCAINE;

CATALYSIS;

CATALYTIC ANTIBODY; COCAINE;

ARTICLE; CATALYSIS; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; HYDROLYSIS; THERMODYNAMICS;

ANTIBODIES, CATALYTIC; CATALYSIS; COCAINE; HYDROLYSIS; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; THERMODYNAMICS;

EID: 23044513572     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20241     Document Type: Article

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