Analysis of B3LYP and MP2 conformational population distributions in trans-nicotine, acetylcholine, and ABT-594

International Journal of Quantum Chemistry

Volumn 103, Issue 1, 2005, Pages 25-33

  Mora, M ^a   Castro, M E ^b   Nino A ^a   Melendez, F J ^b   Munoz Caro C ^a  

^a UNIVERSITY OF CASTILLA LA MANCHA   (Spain)

^b Ciudad Universitaria Puebla   (Mexico)

Author keywords

ABT 594; Acetylcholine; Conformational population; Nicotine

Indexed keywords

CONFORMATIONS; CORRELATION METHODS; FUNCTIONS; KINETIC ENERGY; MATRIX ALGEBRA; PARAMETER ESTIMATION; POPULATION STATISTICS;

ABT-594; ACETYLCHOLINE; CONFORMATIONAL POPULATION; NICOTINE;

DRUG DOSAGE;

EID: 19944378449     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20475     Document Type: Article

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