GIAO-HF/DFT calculation of 13C and 15N chemical shifts for studying tautomerism and intramolecular hydrogen bonding in 2,3-disubstituted quinoxalines

Journal of Physical Organic Chemistry

Volumn 13, Issue 8, 2000, Pages 473-479

  Kleinpeter, E ^a   Hilfert, L ^a   Koch, A ^a  

^a UNIVERSITY OF POTSDAM   (Germany)

Author keywords

Ab initio MO calculation; Intramolecular hydrogen bonding; NMR; Quinoxalines; Steric hindrance; Tautomerism; electron resonance

Indexed keywords

EID: 0001486302     PISSN: 08943230     EISSN: None     Source Type: Journal    
DOI: 10.1002/1099-1395(200008)13:8<473::aid-poc260>3.0.co;2-e     Document Type: Article

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