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47 , Moscow , 117334 Russia Received January 19 , 1995 Abstract - Ab initio calculations of equilibrium structural parameters , force fields , vibration frequencies , and IR and Raman spectral intensities of the AlF2 and AlFz molecules ...
47 , Moscow , 117334 Russia Received January 19 , 1995 Abstract - Ab initio calculations of equilibrium structural parameters , force fields , vibration frequencies , and IR and Raman spectral intensities of the AlF2 and AlFz molecules ...
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Vibrational frequencies ( cm- ' ) in the IR absorption spectra and 13C NMR chemical shifts ( ppm ) for the C204 groups of polynuclear ( polymeric , I - MI ) and binuclear ( dimeric , ĪV - VI ) polycrystalline oxalato ( hydroxylaminato ) ...
Vibrational frequencies ( cm- ' ) in the IR absorption spectra and 13C NMR chemical shifts ( ppm ) for the C204 groups of polynuclear ( polymeric , I - MI ) and binuclear ( dimeric , ĪV - VI ) polycrystalline oxalato ( hydroxylaminato ) ...
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S approximation W , = 613 , W2 = 115 , W3 = 735 , and W4 = 164 cm- ' have an error of no higher than 10 - 15 cm- ' . - > S > > distance R ( Sc - F ) increases by 0.002 Å , the vibrational frequencies w ; and IR intensities A ; decrease ...
S approximation W , = 613 , W2 = 115 , W3 = 735 , and W4 = 164 cm- ' have an error of no higher than 10 - 15 cm- ' . - > S > > distance R ( Sc - F ) increases by 0.002 Å , the vibrational frequencies w ; and IR intensities A ; decrease ...
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1995 | 1527 |
Synthesis and Properties of Zirconium Niobium and Tantalum Oxide Films | 1534 |
Polymorphism in Cobalt Metavanadate | 1540 |
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absorption According acid analysis angles anions aqueous atoms bands basis bismuth bond calculated cation cell Chem chemical Chemistry chloride complexes composition compounds concentration constants contain coordination Copyright corresponding crystals curves decrease dependence determined distances effect electron energy equation equilibrium experimental extraction formation frequencies functions groups heating hydrogen increase indicates initial Inorganic intensity interaction ions Khim ligand melt metal method mixture molecule Moscow Neorg Note observed obtained occurs Original oxides oxygen parameters patterns performed peritectic phase position possible precipitate prepared presence properties Publishing range ratio reaction REFERENCES region respectively Russian salts samples Sciences shows similar sodium solid solubility solutions space group spectra spectrum stability structure studied synthesis Table temperature thermal tion transition Translation unit values vibrations X-ray diffraction yield