CASPIAN JOURNAL
MANAGEMENT AND HIGH TECHNOLOGIES
Computer simulation of geometric structure and vibrational spectra of spinasarine
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Read | Computer simulation of geometric structure and vibrational spectra of spinasarine // Caspian journal : management and high technologies. — 2009. — №3. — pp. 71-78. |
An analysis of vibrational spectra of spinasarine is carried out by the method DFT/B3LYP/6-31G(d)*. The existence of internal hydrogen bonding is estimated.
Key words: vibrational spectra,spinasarine,hydrogen bonding.