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Usnic Acid and the Intramolecular Hydrogen Bond. A Computational Experiment for the Organic Laboratory

โœ Scribed by Lane, Charles A.; Green, Thomas K.

Book ID
120161471
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
214 KB
Volume
83
Category
Article
ISSN
0021-9584

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## Abstract The various conformers of the dicarboxylic acids HO~2~C๏ฃฟ(CH2)~__n__~๏ฃฟCO~2~H, __n__ = 1โ€“4, were obtained using density functional methods (DFT), both in the gas phase and in the aqueous phase using a polarized continuum model (PCM). Several new conformers were identified, particularly fo