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Title: | Study of sulfur isotopes by vibrational spectroscopy and quantum chemistry |
Authors: | Poleshchuk, Oleg Khemovich Egorov, Nikolai Borisovich Akimov, Dmitry Vasilievich Zherin, Ivan Ignatyevich Zhuravlev, N. A. |
Keywords: | изотопы серы; колебательная спектроскопия; квантовая химия; ИК-спектры; рассеяние света; квантово-химические расчеты; термодинамические свойства |
Issue Date: | 2016 |
Publisher: | IOP Publishing |
Citation: | Study of sulfur isotopes by vibrational spectroscopy and quantum chemistry / O. Kh. Poleshchuk [et al.] // IOP Conference Series: Materials Science and Engineering. — 2016. — Vol. 112 : Fundamental Aspects of Rare-earth Elements Mining and Separation and Modern Materials Engineering (REES-2015) : 2nd International Symposium, 7–15 September 2015, Belokuriha, Russia : [proceedings]. — [012005, 8 p.]. |
Abstract: | The results show the dependence of the experimental and calculated frequencies in the IR- and Raman spectra from the molecular mass of the sulfur isotope. The effect of a sulfur isotope shifts on the change of thermodynamic parameters. The results obtained demonstrate that the quantum-chemical calculations are sensitive to the isotopic shifts in the vibrational spectra of sulfur isotopes and are able to assess changes in their thermodynamic properties. |
URI: | http://earchive.tpu.ru/handle/11683/25811 |
Appears in Collections: | Материалы конференций |
Files in This Item:
File | Description | Size | Format | |
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dx.doi.org-10.1088-1757-899X-112-1-012005.pdf | 1,25 MB | Adobe PDF | View/Open |
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