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Density Functional Theory Calculation of 13C NMR Shifts of Diazaphenanthrene Alkaloids: Reinvestigation of the Structure of Samoquasine A
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Title
Density Functional Theory Calculation of 13C NMR Shifts of Diazaphenanthrene Alkaloids: Reinvestigation of the Structure of Samoquasine A
has manifestation of work
http://hub.abes.fr/acs/periodical/joceah/2008/volume_73/issue_22/101021jo801735e/m/print
http://hub.abes.fr/acs/periodical/joceah/2008/volume_73/issue_22/101021jo801735e/m/web
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http://hub.abes.fr/acs/periodical/joceah/2008/volume_73/issue_22/101021jo801735e/authorship/2
http://hub.abes.fr/acs/periodical/joceah/2008/volume_73/issue_22/101021jo801735e/authorship/1
Author
Wipf Peter
hub:person/mail/ff59016f9d66a90a6e15d1917518449e/797153e581c38c5f305976c21c76a3f4
Abstract
The 13C NMR shifts of 48 diazaphenanthrene-type alkaloids have been calculated at the B3LYP/6−311+G(2d,p) level of theory. The results support the structural reassignment of samoquasine A as 2.
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The Journal of Organic Chemistry
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