Conformational and the isomeric analysis of pyridinecarboxylic acid amides

Автор: Zatrudina R.Sh., Kornaukhova M.A.

Журнал: НБИ технологии @nbi-technologies

Рубрика: Технические инновации

Статья в выпуске: 6, 2012 года.

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The potential energy profile calculations by quantum mechanic semi-empirical methods AM1 and PM3 for three types of the pyridinecarboxylic acids amides are carried out. It is shown that the potential energy surfaces of pyridine-3-carboxylic and pyridine-4-carboxylic acids have two global minimums and are almost identical while the pyridine-2-carboxylic acid amide potential energy surface has only one broad minimum.

Pyridinecarboxylic acids, conformational analysis, quantum-mechanical calculations, semiempirical methods, potential energy surface

Короткий адрес: https://sciup.org/14968225

IDR: 14968225

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