Please use this identifier to cite or link to this item:
http://repo.knmu.edu.ua/handle/123456789/15993| Title: | Investigation of Quantum-chemical Properties of Acetylsalicylic Acid |
| Authors: | Syrovaya, Anna Kozub, Svitlana Tishakova, Tatyana Levashova, Olga Chalenko, Natalia |
| Keywords: | acetylsalicylic acid molecular orbitals dipole moment |
| Issue Date: | 2017 |
| Publisher: | Scholars Research Library |
| Citation: | Investigation of Quantum-chemical Properties of Acetylsalicylic Acid / A. O. Syrovaya, S. N. Kozub, T. S. Tishakova, O. L. Levashova, N. N. Chalenko // Der Pharma Chemica. – 2017. – № 9 (6). – P. 11–14. |
| Abstract: | Quantum chemistry provides a physical insight into the sequences of processes that are the basis of drug action related to the pharmacokinetic and pharmacodynamics’ phases. The results of computation of such quantum-chemical parameters of acetylsalicylic acid as geometrical structure, atomic charges, high occupied and low unoccupied molecular orbital energies, electrostatic potential, total charge density, etc. were analyzed. Installed quantum-chemical properties of acetylsalicylic acid are the basis of the molecular mechanisms of its pharmacological action. |
| URI: | https://repo.knmu.edu.ua/handle/123456789/15993 |
| Appears in Collections: | Наукові праці. Кафедра медичної та біоорганічної хімії |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| acetylsalicylic acid.pdf | 234,48 kB | Adobe PDF |  View/Open |
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