Theoretical reassessment of Whelk-O1 as an enantioselective receptor for 1-(4-halogeno-phenyl)-1-ethylamine derivatives

Chirality

Volumn 16, Issue SUPPL., 2004, Pages

  Del Rio, Alberto ^a   Hayes, Joseph M ^b   Stein, Matthias ^b   Piras, Patrick ^a   Roussel, Christian ^a  

^a AIX MARSEILLE UNIVERSITY   (France)

^b Anterio Consult and Research GmbH   (Germany)

Author keywords

Chiral HPLC; Chiral recognition; Conformational searches; Diastereomeric complexes; Intermolecular interactions; MINTA; Molecular modeling; NBO factorization; Quantum mechanics

Indexed keywords

1 (4 HALOGENOPHENYL) 1 ETHYLAMINE DERIVATIVE; ETHYLAMINE; RECEPTOR; UNCLASSIFIED DRUG;

BINDING KINETICS; CALCULATION; CHIRALITY; CONFERENCE PAPER; DATA BASE; ENANTIOSELECTIVITY; ENERGY TRANSFER; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; HYDROGEN BOND; MOLECULAR INTERACTION; MOLECULAR MECHANICS; MOLECULAR RECOGNITION; PRIORITY JOURNAL; QUANTUM MECHANICS; RACEMIC MIXTURE; STEREOCHEMISTRY;

EID: 3242733866     PISSN: 08990042     EISSN: None     Source Type: Journal    
DOI: 10.1002/chir.20009     Document Type: Conference Paper

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