Investigation of Quantum-chemical Properties of Acetylsalicylic Acid
| dc.contributor.author | Syrovaya, Anna | |
| dc.contributor.author | Kozub, Svitlana | |
| dc.contributor.author | Tishakova, Tatyana | |
| dc.contributor.author | Levashova, Olga | |
| dc.contributor.author | Chalenko, Natalia | |
| dc.date.accessioned | 2017-05-11T06:35:21Z | |
| dc.date.available | 2017-05-11T06:35:21Z | |
| dc.date.issued | 2017 | |
| dc.description.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. | ru_RU |
| dc.identifier.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. | ru_RU |
| dc.identifier.uri | https://repo.knmu.edu.ua/handle/123456789/15993 | |
| dc.language.iso | en | ru_RU |
| dc.publisher | Scholars Research Library | ru_RU |
| dc.subject | acetylsalicylic acid | ru_RU |
| dc.subject | molecular orbitals | ru_RU |
| dc.subject | dipole moment | ru_RU |
| dc.title | Investigation of Quantum-chemical Properties of Acetylsalicylic Acid | ru_RU |
| dc.type | Article | ru_RU |