Quantum-chemical calculations of the structure and electron transitions of multimolecular films
| dc.contributor.author | Kopbalina, K.B. | |
| dc.contributor.author | Mazhenov, N.A. | |
| dc.contributor.author | Bimbetova, G.M. | |
| dc.date.accessioned | 2020-02-07T04:37:14Z | |
| dc.date.available | 2020-02-07T04:37:14Z | |
| dc.date.issued | 2019-06-14 | |
| dc.description.abstract | Dynamic and static quenching of fluorescence occurs upon contact interaction of oxygen molecules. Of the simplest models of the complex of oxygen and anthracene, a complex consisting of one molecule of oxygen and anthracene molecule is proposed. Quantum-chemical calculations were performed by using the Gaussian 98 software package. Equilibrium geometry of the ground electron state was obtained for a complex of oxygen and anthracene molecules. The electron absorption spectrum is calculated for this complex. It is established that this complex of oxygen and anthracene is not photo-stable. | ru_RU |
| dc.identifier.citation | Kopbalina, K.B. Quantum-chemical calculations of the structure and electron transitions of multimolecular films / K.B. Kopbalina, N.A. Mazhenov, G.M. Bimbetova // Eurasian Physical Technical Journal. – 2019. – Vol.16. – № 1(31). – P. 62-68. | ru_RU |
| dc.identifier.issn | 1811-1165 | |
| dc.identifier.issn | 2413-2179 | |
| dc.identifier.uri | https://rep.buketov.edu.kz//handle/data/9338 | |
| dc.language.iso | en | ru_RU |
| dc.publisher | Ye.A.Buketov Karaganda State University Publishing house | ru_RU |
| dc.relation.ispartofseries | Eurasian Physical Technical Journal;Vol.16, №1(31) / 2019 | |
| dc.subject | molecular oxygen | ru_RU |
| dc.subject | anthracene molecule | ru_RU |
| dc.subject | computer modeling | ru_RU |
| dc.subject | molecular orbitals | ru_RU |
| dc.subject | wave function | ru_RU |
| dc.title | Quantum-chemical calculations of the structure and electron transitions of multimolecular films | ru_RU |
| dc.type | Article | ru_RU |