Quantum-chemical study of aminoacetic acid cyclic dimers
| dc.contributor.author | Kutzhanova, K.Zh. | |
| dc.contributor.author | Kurmanova, A.F. | |
| dc.contributor.author | Pustolaikina, I.A. | |
| dc.contributor.author | Su, Xintai | |
| dc.date.accessioned | 2017-04-11T09:52:18Z | |
| dc.date.available | 2017-04-11T09:52:18Z | |
| dc.date.issued | 2016-12-30 | |
| dc.description.abstract | Cyclic dimers of aminoacetic acid were investigated by ab initio UHF 3–21G method using the Gaussian-2009 program. Four types of aminoacetic acid cyclic dimers were registered by quantum-chemical method. Comparative analysis of geometry, charge and energy parameters of aminoacetic acid dimers and individual molecule was performed. Complexation energy of studied dimers was estimated. | ru_RU |
| dc.identifier.issn | 2518-7201 | |
| dc.identifier.uri | https://rep.buketov.edu.kz/handle/data/1169 | |
| dc.language.iso | en | ru_RU |
| dc.publisher | Вестник Карагандинского университета | ru_RU |
| dc.relation.ispartofseries | Химия; | |
| dc.subject | quantum chemical calculations | ru_RU |
| dc.subject | ab initio UHF 3–21G | ru_RU |
| dc.subject | hydrogen bond | ru_RU |
| dc.subject | aminoacetic acid | ru_RU |
| dc.subject | glycine | ru_RU |
| dc.subject | dimers | ru_RU |
| dc.subject | associates | ru_RU |
| dc.subject | cyclic complexes by hydrogen bonding | ru_RU |
| dc.subject | geometric and energy parameters | ru_RU |
| dc.subject | charge distribution | ru_RU |
| dc.subject | complexation energy | ru_RU |
| dc.subject | hydrogen bond energy | ru_RU |
| dc.title | Quantum-chemical study of aminoacetic acid cyclic dimers | ru_RU |
| dc.type | Article | ru_RU |