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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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Bibliographic Details
Main Authors: Okhrimenko, B.A., Yushko, O.A., Yablochkova, K.S.
Format: Article
Language:English
Published: НТК «Інститут монокристалів» НАН України 2013
Series:Functional Materials
Subjects:
Online Access:http://dspace.nbuv.gov.ua/handle/123456789/119904
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spelling 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
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