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Ab initio calculations of the vibrational spectra of 1/1 approximant ofi-AlCuFe quasicrystal

✍ Scribed by A. N. Rudenko; V. G. Mazurenko

Book ID
111446146
Publisher
SP MAIK Nauka/Interperiodica
Year
2008
Tongue
English
Weight
175 KB
Volume
50
Category
Article
ISSN
1063-7834

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The infrared and Raman vibrational spectra of 1,1,2,2-tetrachlorodisilane and its (Cl -isotopomer were measured and assigned with the aid of normal coordinate analyses and also ab initio RHF Cl 2 DSiSiDCl 2 geometry optimizations and harmonic wavenumber calculations using the GAMESS quantum chemist