title: Conformations and tautomers of 5a,6-anhydrotetracycline.
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.
authors.affiliation: Computer-Chemie-Centrum, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstrasse 25, 91052 Erlangen, Germany.
authors.forename: Kathrin
authors.initials: K
authors.lastname: Meindl
authors.forename: Timothy
authors.initials: T
authors.lastname: Clark
mesh_terms: D007536:Isomerism; D008958:Models, Molecular; D008968:Molecular Conformation; D013050:Spectrometry, Fluorescence; D013754:Tetracyclines / Q000737:chemistry*
chemical_list: D013754:Tetracyclines; C016229:4-epianhydrotetracycline