Diastereomer configurations from joint experimental-computational analysis

Journal of Organic Chemistry

Volumn 77, Issue 14, 2012, Pages 6290-6295

  Aliev, Abil E ^a   Mia, Zakirin A ^a   Busson, Mathilde J M ^a   Fitzmaurice, Richard J ^a   Caddick, Stephen ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CHIRAL CENTERS; COMPUTATIONAL DATA; DIASTEREOMERS; EXPERIMENTAL VALUES; GEOMETRY OPTIMIZATION; GRID SEARCH; J COUPLING; JOINT ANALYSIS; MD SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; NUCLEAR OVERHAUSER EFFECTS; QUANTUM MECHANICAL; RELATIVE ENERGIES; ROTAMERS; SIDE-CHAINS;

CHEMICAL SHIFT; MOLECULAR DYNAMICS; QUANTUM THEORY;

NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

EPOXIDE;

ARTICLE; ATOM; CARBON NUCLEAR MAGNETIC RESONANCE; CHEMICAL STRUCTURE; DIASTEREOISOMER; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; NUCLEAR OVERHAUSER EFFECT; PROTON NUCLEAR MAGNETIC RESONANCE; QUANTUM MECHANICS; SUBSTITUTION REACTION; SYNTHESIS;

EID: 84864046878     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/jo301119h     Document Type: Article

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