REPOZITORIU UPSC
DFT study of the influence of the solvent on the stability of the neutral conformers of ascorbic acid
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| dc.contributor.author | ARSENE, Ion | |
| dc.contributor.author | PURCEL, Viorica | |
| dc.contributor.author | CERNEAVSCAIA, Iana | |
| dc.date.accessioned | 2025-02-01T04:35:57Z | |
| dc.date.available | 2025-02-01T04:35:57Z | |
| dc.date.issued | 2024 | |
| dc.identifier.citation | ARSENE, Ion; PURCEL, Viorica şi CERNEAVSCAIA, Iana. DFT study of the influence of the solvent on the stability of the neutral conformers of ascorbic acid. În: Higher education: traditions, values, perspectives: Conference proceedings of the international scientific conference, 27-28 September, 2024. Chișinău: CEP UPSC, 2024, pp. 297-301. ISBN 978-9975-46-968-5. | en_US |
| dc.identifier.isbn | 978-9975-46-968-5 | |
| dc.identifier.uri | http://dir.upsc.md:8080/xmlui/123456789/7116 | |
| dc.description.abstract | This paper presents the various geometric conformations of ascorbic acid (Asc) and analyzes the stability of these conformations depending on the solvent used. Studies have shown that all possible conformations of ascorbic acid become more stable in the presence of a solvent, particularly in water. Regarding the stability of the conformations based on the orientation of the hydroxyl groups, the most stable conformer was identified as γ molecular structure, which recorded the lowest free energy, indicating superior energetic stability. | en_US |
| dc.language.iso | ro | en_US |
| dc.publisher | Ion Creangă Pedagogical State University | en_US |
| dc.relation.ispartof | Higher education: traditions, values, perspectives : Conference proceedings of the international scientific conference, 27-28 September, 2024 | |
| dc.subject | Ascorbic acid | en_US |
| dc.subject | Energetic stability | en_US |
| dc.subject | Solvent | en_US |
| dc.subject | Vacuum | en_US |
| dc.subject | Neutral conformer | en_US |
| dc.title | DFT study of the influence of the solvent on the stability of the neutral conformers of ascorbic acid | en_US |
| dc.title.alternative | Studiul DFT al influienței solventului asupra stabilității conformerilor neutri ai acidului ascorbic | en_US |
| dc.type | Article | en_US |
