Benzoxazine oligomers: Evidence for a helical structure from solid-state NMR spectroscopy and DFT-based dynamics and chemical shift calculations

Journal of the American Chemical Society

Volumn 125, Issue 19, 2003, Pages 5792-5800

  Goward, Gillian R ^a,c   Sebastiani, Daniel ^a   Schnell, Ingo ^a   Spiess, Hans Wolfgang ^a   Kim, Ho Dong ^b   Ishida, Hatsuo ^b  

^a MAX PLANCK INSTITUTE FOR POLYMER RESEARCH   (Germany)

^b CASE WESTERN RESERVE UNIVERSITY   (United States)

^c MCMASTER UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; HYDROGEN BONDS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; SUPRAMOLECULAR CHEMISTRY;

HELICAL STRUCTURE;

OLIGOMERS;

BENZOXAZINE DERIVATIVE; OLIGOMER; PROTON; TETRAMER;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; CONFORMATION; DENSITY FUNCTIONAL THEORY; FORCE; GEOMETRY; HYDROGEN BOND; MATERIAL STATE; MOLECULAR DYNAMICS; MOLECULAR MODEL; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTON NUCLEAR MAGNETIC RESONANCE; SOLID STATE; SUPRAMOLECULAR CHEMISTRY; THEORETICAL STUDY; VALIDATION PROCESS;

EID: 0038634810     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja029059r     Document Type: Article

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