Nuclear magnetic resonance and molecular
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Anu J. Airaksinen; Kari A. Tuppurainen; Simo E. LΓΆtjΓΆnen; Matthias Niemitz; Meix
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Article
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1999
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Elsevier Science
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French
β 566 KB
IH NMR spectra of (-)-cocaine and some of its derivatives were analysed and the spectral parameters were used for conformational analysis of the compounds in conjunction with theoretical HF/6-31G\*, MMP2, AMI and molecular dynamics calculations. Comparison of the experimental and theoretical data re