Density function theory and Hatree-Fock approximation were used to optimize serotonin molecule with different basis set to find its band gap energy. By comparison with literature results we chose DFT with basis set SDD. The vibrational spectra analysis of serotonin was performed using Infrared technique and NMR spectra analysis of the titled molecule was viewed for the preferred basis set.
| Primary Language | English |
|---|---|
| Subjects | Metrology, Applied and Industrial Physics |
| Journal Section | Research Article |
| Authors | |
| Submission Date | December 5, 2019 |
| Acceptance Date | December 9, 2019 |
| Publication Date | December 16, 2019 |
| IZ | https://izlik.org/JA33EY57BS |
| Published in Issue | Year 2019 Volume: 2 Issue: 2 |
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