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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.
Appears in Collections:Материалы конференций

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