NMR vs. molecular modelling Part II - Steroid chemical shift calculations

Magnetic Resonance in Chemistry

Volumn 37, Issue 2, 1999, Pages 103-106

  Smith, William B ^a  

^a TEXAS CHRISTIAN UNIVERSITY   (United States)

Author keywords

Chemical shift calculations; Cholesterol; Estrone; GIAO; NMR

Indexed keywords

CHEMICAL SHIFT; STEROID HORMONES;

AROMATIC STRUCTURES; BASIS SETS; CARBONYL STRUCTURE; CHEMICAL SHIFT CALCULATION; CPU TIME; DFT GIAO CALCULATIONS; ESTRONE; FORCEFIELDS; GIAO; OXYGEN HETEROATOM;

CHOLESTEROL;

EID: 0033074830     PISSN: 07491581     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1097-458x(199902)37:2<103::aid-mrc426>3.0.co;2-u     Document Type: Article

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