Vibrational structure of free and hydrog
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Elif Akalin; Sevim Akyuz
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Article
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2007
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Elsevier Science
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English
β 306 KB
The combined experimental and theoretical study on molecular vibrations of isoniazid (INH) were reported by using density functional (DFT) method to determine the geometric and vibrational characteristics of INH with the B3LYP/6-31++G(d,p) basis set. Anharmonic corrections to the wavenumbers were do