DFT investigation on the tautomerization reaction and NBO analysis of the Acamprosate drug
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چکیده
منابع مشابه
DFT Investigation on The Tautomerization Reaction and NBO Analysis of the Acamprosate Drug
The Acamprosate is a significant drug for alcohol abuse therapy, which may be an effective treatment for tinnitus, too. The Acamprosate has two possible tautomers, Keto and Enol tautomers. Each of the tautomers involves two important conformers. In this work, employing density functional theory (DFT) and handling the solvent effects with the PCM model, the structural parameters, energetic behav...
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ژورنال
عنوان ژورنال: Oriental Journal of Chemistry
سال: 2015
ISSN: 0970-020X,2231-5039
DOI: 10.13005/ojc/310434