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Conformations and tautomers of 5a,6-anhydrotetracycline
Kathrin Meindl1, Timothy Clark
1Computer-Chemie-Centrum, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstrasse 25, 91052 Erlangen, Germany.
The Journal of Physical Chemistry. B
|July 21, 2006
Abstract:
Ab initio and density functional theory (DFT) calculations have been used to investigate the conformations and tautomeric forms of neutral anhydrotetracycline in aqueous solution.
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