NMR vs. molecular modelling Part III - A DFT-GIAO study of a series of 2-X-fluorobenzenes

Magnetic Resonance in Chemistry

Volumn 37, Issue 2, 1999, Pages 107-109

  Smith, William B ^a  

^a TEXAS CHRISTIAN UNIVERSITY   (United States)

Author keywords

2 X fluorobenzenes; 13C NMR; Chemical shifts; DFT; Fluorine; GIAO; NMR

Indexed keywords

CHEMICAL SHIFT;

13C NMR; 2-X-FLUOROBENZENE; BASIS SETS; DFT; DFT/GIAO; FLUORINE CHEMICALS; FLUOROBENZENE; GIAO; GIAO METHODS; ISOTROPICS;

FLUORINE;

EID: 0033074584     PISSN: 07491581     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1097-458x(199902)37:2<107::aid-mrc421>3.0.co;2-x     Document Type: Article

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