Force-Field Calculations for S, Se, and Te Hexafluorides Full article
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Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779 |
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| Output data | Year: 1989, Volume: 30, Number: 1, Pages: 40-43 Pages count : 4 DOI: 10.1007/BF00748179 | ||
| Tags | Physical Chemistry; Inorganic Chemistry | ||
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Abstract:
Force constants have been derived for the total harmonic force fields for S, Se, and Te hexafluorides. The initial approximation U0 in each case was calculated from ab initio data on the electronic structures for various configurations of SF6 by the use of the 3-21G basis function set. The refinement is based here on the general solution to the inverse spectral treatment in the complete dependent natural-coordinate system with allowance for the subspace defined by the zero eigenvalue for the T-1/2 matrix. The trends in the force constants for the S, Se, and Te series can be related to the atomic numbers.
Cite:
Osipova G.E.
, Yurchenko E.N.
, Baltakhinov V.P.
, Pavlov V.I.
, Zhidomirov G.M.
Force-Field Calculations for S, Se, and Te Hexafluorides
Journal of Structural Chemistry. 1989. V.30. N1. P.40-43. DOI: 10.1007/BF00748179 WOS Scopus РИНЦ OpenAlex
Force-Field Calculations for S, Se, and Te Hexafluorides
Journal of Structural Chemistry. 1989. V.30. N1. P.40-43. DOI: 10.1007/BF00748179 WOS Scopus РИНЦ OpenAlex
Original:
Осипова Г.Е.
, Юрченко Э.Н.
, Балтахинов В.П.
, Павлов В.И.
, Жидомиров Г.М.
Расчеты силовых полей гексафторидов S, Se, Te
Журнал структурной химии. 1989. Т.30. №1. С.50-54. РИНЦ ANCAN
Расчеты силовых полей гексафторидов S, Se, Te
Журнал структурной химии. 1989. Т.30. №1. С.50-54. РИНЦ ANCAN
Dates:
| Submitted: | Apr 23, 1987 |
| Published print: | Jan 1, 1989 |
Identifiers:
| Web of science: | WOS:A1989FT87500007 |
| Scopus: | 2-s2.0-34249969397 |
| Elibrary: | 30669587 |
| OpenAlex: | W2016752855 |