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* Scientific Article * Impact Factor 6.630 |
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Abdullayev, S.S., Eshimbetov, A.G., Ashurov, J.M., & Mamadrahimov, A.A
Theoretical study of the electronic structure of the organic salt of ketorolac with monoethanolamine. |
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Full Article: PDF
Scientific Object Identifier: http://s-o-i.org/1.1/TAS-12-116-1
DOI: https://dx.doi.org/10.15863/TAS.2022.12.116.1
Language: English
Citation: Abdullayev, S.S., Eshimbetov, A.G., Ashurov, J.M., & Mamadrahimov, A.A (2022). Theoretical study of the electronic structure of the organic salt of ketorolac with monoethanolamine. ISJ Theoretical & Applied Science, 12 (116), 1-5. Soi: http://s-o-i.org/1.1/TAS-12-116-1 Doi: https://dx.doi.org/10.15863/TAS.2022.12.116.1 |
Pages: 1-5
Published: 30.12.2022
Abstract: The DFT method was used to analyze some quantum-chemical parameters of known compounds - ketorolac and monoethanolamine and their organic salt. And also an analysis of the surface of the electrostatic potential of the salt and its main components was carried out. Furthermore, non-covalent interactions of salt are visualized using MultiWFN and VMD program packages.
Key words: Ketorolac, monoethanolamine, organic salt, electronic structure, DFT, Non-covalent interactions, ORCA program
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