The investigations of acid-base properties of the several small molecules by quantum chemical methods
| dc.contributor.author | Masalimov, A.S. | |
| dc.contributor.author | Kobelkova, M.N. | |
| dc.contributor.author | Rachimzhanova, A.S. | |
| dc.contributor.author | Tur, A.A. | |
| dc.contributor.author | Pustolaikina, I.A. | |
| dc.contributor.author | Nikolskiy, S.N. | |
| dc.date.accessioned | 2017-04-11T09:28:29Z | |
| dc.date.available | 2017-04-11T09:28:29Z | |
| dc.date.issued | 2016-12-30 | |
| dc.description.abstract | The values of ionization potentials calculated for several hydrides and fluorides were obtained by UHF 3–21, UHF 3–21+G and UHF 3–21++G ab initio methods. Quantum chemical calculations show that protonation reactions of the four-atomic hydrides of nitrogen subgroup elements give cations with tetrahedron geometry. Protonation reaction of molecules of the boron subgroup elements follow form with undefined structure. | ru_RU |
| dc.identifier.issn | 2518-7201 | |
| dc.identifier.uri | https://rep.buketov.edu.kz/handle/data/1168 | |
| dc.language.iso | en | ru_RU |
| dc.publisher | Вестник Карагандинского университета | ru_RU |
| dc.relation.ispartofseries | Химия; | |
| dc.subject | proton transfer | ru_RU |
| dc.subject | acid-base system | ru_RU |
| dc.subject | intermolecular hydrogen bond | ru_RU |
| dc.subject | electron transfer | ru_RU |
| dc.subject | ionization potentials | ru_RU |
| dc.subject | electron affinity | ru_RU |
| dc.title | The investigations of acid-base properties of the several small molecules by quantum chemical methods | ru_RU |
| dc.type | Article | ru_RU |