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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| Видавець: | НТК «Інститут монокристалів» НАН України |
|---|---|
| Дата: | 2013 |
| Автори: | , , |
| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
НТК «Інститут монокристалів» НАН України
2013
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| Назва видання: | Functional Materials |
| Теми: | |
| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/119904 |
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| 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. |
Репозиторії
Digital Library of Periodicals of National Academy of Sciences of Ukraine| id |
irk-123456789-119904 |
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| record_format |
dspace |
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irk-123456789-1199042017-06-11T03:03:49Z Chemical bond deviation in group VI hydrids Okhrimenko, B.A. Yushko, O.A. Yablochkova, K.S. Modeling and simulation 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. 2013 Article 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 http://dspace.nbuv.gov.ua/handle/123456789/119904 DOI: dx.doi.org/10.15407/fm20.01.092 en Functional Materials НТК «Інститут монокристалів» НАН України |
| institution |
Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| collection |
DSpace DC |
| language |
English |
| topic |
Modeling and simulation Modeling and simulation |
| spellingShingle |
Modeling and simulation Modeling and simulation Okhrimenko, B.A. Yushko, O.A. Yablochkova, K.S. Chemical bond deviation in group VI hydrids 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. |
| format |
Article |
| author |
Okhrimenko, B.A. Yushko, O.A. Yablochkova, K.S. |
| author_facet |
Okhrimenko, B.A. Yushko, O.A. Yablochkova, K.S. |
| author_sort |
Okhrimenko, B.A. |
| title |
Chemical bond deviation in group VI hydrids |
| title_short |
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_sort |
chemical bond deviation in group vi hydrids |
| publisher |
НТК «Інститут монокристалів» НАН України |
| publishDate |
2013 |
| topic_facet |
Modeling and simulation |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/119904 |
| 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. |
| series |
Functional Materials |
| work_keys_str_mv |
AT okhrimenkoba chemicalbonddeviationingroupvihydrids AT yushkooa chemicalbonddeviationingroupvihydrids AT yablochkovaks chemicalbonddeviationingroupvihydrids |
| first_indexed |
2023-10-18T20:35:43Z |
| last_indexed |
2023-10-18T20:35:43Z |
| _version_ |
1796150610241781760 |