@article{Bashmakova_Kutovyy_Zhurakivsky_Hovorun_Yashchuk_2022, title={Vibrational Spectra of Berberine and Their Interpretation by Means of DFT Quantum-mechanical Calculations}, volume={56}, url={https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2022136}, DOI={10.15407/ujpe56.2.130}, abstractNote={<p>Experimental vibrational spectra (Raman and infrared absorption) of berberine are obtained at room temperature. The vibrational<br>spectra of berberine are calculated by the DFT method at the B3LYP/6-311++G(d,p) level. Based on the correlation between experimental and calculated data, the vibrational spectrum is interpreted in the frequency range of 800–1700 cm<sup>–1</sup> in detail. The experimental and calculated spectra of intramolecular vibrations are found to correlate closely.</p>}, number={2}, journal={Ukrainian Journal of Physics}, author={Bashmakova Н.В. and Kutovyy С.Ю. and Zhurakivsky Р.О. and Hovorun Д.М. and Yashchuk В.М.}, year={2022}, month={Feb.}, pages={130} }