Chemical bond deviation in group VI hydrids
Ab initio calculations of the chemical bond deviation in molecules were carried out using Gaussian 09 software. The results correlate with the estimations of the deviation angle obtained earlier using experimental data.
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| Опубліковано в: : | Functional Materials |
|---|---|
| Дата: | 2013 |
| Автори: | , , |
| Формат: | Стаття |
| Мова: | Англійська |
| Опубліковано: |
НТК «Інститут монокристалів» НАН України
2013
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| Теми: | |
| Онлайн доступ: | https://nasplib.isofts.kiev.ua/handle/123456789/119904 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | Chemical bond deviation in group VI hydrids / B.A. Okhrimenko, O.A. Yushko, K.S. Yablochkova // Functional Materials. — 2013. — Т. 20, № 1. — С. 92-96. — Бібліогр.: 23 назв. — англ. |
Репозитарії
Digital Library of Periodicals of National Academy of Sciences of Ukraine| _version_ | 1862529938088787968 |
|---|---|
| author | Okhrimenko, B.A. Yushko, O.A. Yablochkova, K.S. |
| author_facet | Okhrimenko, B.A. Yushko, O.A. Yablochkova, K.S. |
| citation_txt | Chemical bond deviation in group VI hydrids / B.A. Okhrimenko, O.A. Yushko, K.S. Yablochkova // Functional Materials. — 2013. — Т. 20, № 1. — С. 92-96. — Бібліогр.: 23 назв. — англ. |
| collection | DSpace DC |
| container_title | Functional Materials |
| description | Ab initio calculations of the chemical bond deviation in molecules were carried out using Gaussian 09 software. The results correlate with the estimations of the deviation angle obtained earlier using experimental data.
|
| first_indexed | 2025-11-24T02:24:24Z |
| format | Article |
| fulltext | |
| id | nasplib_isofts_kiev_ua-123456789-119904 |
| institution | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| issn | 1027-5495 |
| language | English |
| last_indexed | 2025-11-24T02:24:24Z |
| publishDate | 2013 |
| publisher | НТК «Інститут монокристалів» НАН України |
| record_format | dspace |
| spelling | Okhrimenko, B.A. Yushko, O.A. Yablochkova, K.S. 2017-06-10T10:59:16Z 2017-06-10T10:59:16Z 2013 Chemical bond deviation in group VI hydrids / B.A. Okhrimenko, O.A. Yushko, K.S. Yablochkova // Functional Materials. — 2013. — Т. 20, № 1. — С. 92-96. — Бібліогр.: 23 назв. — англ. 1027-5495 https://nasplib.isofts.kiev.ua/handle/123456789/119904 DOI: dx.doi.org/10.15407/fm20.01.092 Ab initio calculations of the chemical bond deviation in molecules were carried out using Gaussian 09 software. The results correlate with the estimations of the deviation angle obtained earlier using experimental data. en НТК «Інститут монокристалів» НАН України Functional Materials Modeling and simulation Chemical bond deviation in group VI hydrids Article published earlier |
| spellingShingle | Chemical bond deviation in group VI hydrids Okhrimenko, B.A. Yushko, O.A. Yablochkova, K.S. Modeling and simulation |
| title | Chemical bond deviation in group VI hydrids |
| title_full | Chemical bond deviation in group VI hydrids |
| title_fullStr | Chemical bond deviation in group VI hydrids |
| title_full_unstemmed | Chemical bond deviation in group VI hydrids |
| title_short | Chemical bond deviation in group VI hydrids |
| title_sort | chemical bond deviation in group vi hydrids |
| topic | Modeling and simulation |
| topic_facet | Modeling and simulation |
| url | https://nasplib.isofts.kiev.ua/handle/123456789/119904 |
| work_keys_str_mv | AT okhrimenkoba chemicalbonddeviationingroupvihydrids AT yushkooa chemicalbonddeviationingroupvihydrids AT yablochkovaks chemicalbonddeviationingroupvihydrids |