Molecular modelling and NMR studies of the caffeine dimer

Canadian Journal of Chemistry

Volumn 76, Issue 1, 1998, Pages 48-56

  Falk, Michael ^a   Chew, Warren ^a,d   Walter, John A ^a   Kwiatkowski, Witold ^b   Barclay, Katherine D ^b,c   Klassen, Gerald A ^c  

^a NATIONAL RESEARCH COUNCIL CANADA   (Canada)

^b DALHOUSIE UNIVERSITY   (Canada)

^c QUEEN ELIZABETH II HEALTH SCIENCES CENTRE   (Canada)

^d PFIZER INC   (United States)

Author keywords

Caffeine; Dimer; Intermolecular nuclear Overhauser enhancements (NOEs); Molecular modelling; Self association

Indexed keywords

AROMATIC COMPOUNDS; ASSOCIATION REACTIONS; CONFORMATIONS; CRYSTAL STRUCTURE; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SOLUTIONS;

CAFFEINE DIMERS; INTERMOLECULAR OVERHAUSER ENHANCEMENTS (NOES); SELF ASSOCIATION REACTIONS;

NITROGEN COMPOUNDS;

CAFFEINE; DIMER;

AQUEOUS SOLUTION; ARTICLE; CRYSTAL STRUCTURE; DRUG CONFORMATION; GEOMETRY; MOLECULAR MODEL; NUCLEAR MAGNETIC RESONANCE; NUCLEAR OVERHAUSER EFFECT;

EID: 0031899569     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/v97-211     Document Type: Article

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