Assigning stereochemistry to single diastereoisomers by GIAO NMR calculation: The DP4 probability

Journal of the American Chemical Society

Volumn 132, Issue 37, 2010, Pages 12946-12959

  Smith, Steven G ^a   Goodman, Jonathan M ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; CORRELATION COEFFICIENT; DIASTEREOISOMERS; EXPERIMENTAL DATA; GEOMETRY OPTIMIZATION; HIGH CONFIDENCE; MEAN ABSOLUTE ERROR; NATURAL PRODUCTS; PROBABILITY ANALYSIS; PROBABILITY MEASURES; SINGLE-POINT CALCULATIONS;

STEREOCHEMISTRY;

PROBABILITY;

CARBON 13; HYDROGEN;

ARTICLE; CHEMICAL STRUCTURE; CONTROLLED STUDY; DIASTEREOISOMER; GEOMETRY; MOLECULAR MECHANICS; NUCLEAR MAGNETIC RESONANCE; QUANTITATIVE ANALYSIS; STEREOCHEMISTRY;

BIOLOGICAL PRODUCTS; MAGNETIC RESONANCE SPECTROSCOPY; ORGANIC CHEMICALS; PROBABILITY; STEREOISOMERISM;

EID: 77956630251     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja105035r     Document Type: Article

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