The Infona portal uses cookies, i.e. strings of text saved by a browser on the user's device. The portal can access those files and use them to remember the user's data, such as their chosen settings (screen view, interface language, etc.), or their login data. By using the Infona portal the user accepts automatic saving and using this information for portal operation purposes. More information on the subject can be found in the Privacy Policy and Terms of Service. By closing this window the user confirms that they have read the information on cookie usage, and they accept the privacy policy and the way cookies are used by the portal. You can change the cookie settings in your browser.
This study has performed molecular modeling, vibrational dynamics, and thermodynamics of tyramine neurotransmitter and its monohydrate cluster in gas phase. All theoretical calculations for tyramine and its monohydrate cluster are performed at DFT/B3LYP/6‐31++G(d,p) level to optimize the electronic structures and calculation of vibrational frequencies. Most of the vibrational frequencies have been...