Computed 13C NMR chemical shifts via empirically scaled GIAO shieldings and molecular mechanics geometries. Conformation and configuration from 13C shifts

Journal of the American Chemical Society

Volumn 119, Issue 40, 1997, Pages 9483-9494

  Forsyth, David A ^a   Sebag, Albert B ^a  

^a NORTHEASTERN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ORGANIC COMPOUND;

ARTICLE; ATOM; CALCULATION; CHEMICAL BOND; CONFORMATION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTON NUCLEAR MAGNETIC RESONANCE; STEREOCHEMISTRY;

EID: 0030813732     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja970112z     Document Type: Article

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