Restricted rotation/tautomeric equilibrium and determination of the site and extent of protonation in bi-imidazole nucleosides by multinuclear NMR and GIAO-DFT calculations

Journal of Physical Organic Chemistry

Volumn 18, Issue 3, 2005, Pages 240-249

  Mäki, Jukka ^a   Tähtinen, Petri ^b   Kronberg, Leif ^a   Klika, Karel D ^b  

^a ÅBO AKADEMI UNIVERSITY   (Finland)

^b UNIVERSITY OF TURKU   (Finland)

Author keywords

DFT calculations; Etheno adducts; Hindered rotation; Molecular modeling; NMR spectroscopy; Tantomeric equilibrium

Indexed keywords

DISEASES; DNA; HYDROGEN BONDS; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; PROTONS; SUBSTITUTION REACTIONS; TUMORS;

ETHENO ADDUCTS; HINDERED ROTATION; MOLECULAR MODELING; PROTONATION; TAUTOMERIC EQUILIBRIUM;

AROMATIC COMPOUNDS;

EID: 14044277494     PISSN: 08943230     EISSN: None     Source Type: Journal    
DOI: 10.1002/poc.840     Document Type: Article

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