Nonempirical Quantum Chemical Calculations of the Vibrational Spectra of Surface Methoxyl Groups on Aluminum and Silicon Oxides Full article
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Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779 |
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| Output data | Year: 1992, Volume: 33, Number: 5, Pages: 660-665 Pages count : 6 DOI: 10.1007/BF00747071 | ||||
| Tags | Oxide; Aluminum; Silicon; Physical Chemistry; Inorganic Chemistry | ||||
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Abstract:
Nonempirical quantum chemical calculations of the vibrational spectra of methoxyls were performed for silicon and aluminum oxides within the framework of the cluster approach with scaling of the force field. The scaling factors were determined from the requirements of reproduction of the vibrational spectrum of the methanol molecule. The results of a calculation of the vibrational spectra of the surface methoxyls are compared with the known experimental data.
Cite:
Ablaeva M.A.
, Zhidomirov G.M.
, Burgina E.B.
, Baltakhinov V.P.
, Pel'menshchikov A.G.
, Paukshtis E.A.
, Malysheva L.V.
Nonempirical Quantum Chemical Calculations of the Vibrational Spectra of Surface Methoxyl Groups on Aluminum and Silicon Oxides
Journal of Structural Chemistry. 1992. V.33. N5. P.660-665. DOI: 10.1007/BF00747071 WOS Scopus РИНЦ OpenAlex
Nonempirical Quantum Chemical Calculations of the Vibrational Spectra of Surface Methoxyl Groups on Aluminum and Silicon Oxides
Journal of Structural Chemistry. 1992. V.33. N5. P.660-665. DOI: 10.1007/BF00747071 WOS Scopus РИНЦ OpenAlex
Original:
Аблаева М.А.
, Жидомиров Г.М.
, Бургина Е.Б.
, Балтахинов В.П.
, Пельменщиков А.Г.
, Паукштис Е.А.
, Малышева Л.В.
Неэмпирические квантово-химические расчеты колебательных спектров поверхностных метоксильных групп на оксидах алюминия и кремния
Журнал структурной химии. 1992. Т.33. №5. С.49-54. РИНЦ ANCAN
Неэмпирические квантово-химические расчеты колебательных спектров поверхностных метоксильных групп на оксидах алюминия и кремния
Журнал структурной химии. 1992. Т.33. №5. С.49-54. РИНЦ ANCAN
Dates:
| Submitted: | Oct 30, 1991 |
| Published print: | Sep 1, 1992 |
Identifiers:
| Web of science: | WOS:A1992KZ08300007 |
| Scopus: | 2-s2.0-21144462315 |
| Elibrary: | 29277369 |
| OpenAlex: | W2052315596 |