Ab initio Calculations of the Geometry, Electronic Structure, and Vibrational Spectrum of (Acetoxymethyl)triflouorosilane

By Lazarev I. M.   Ratovskii G. V.   Brodskaya E. I.   Lazareva N. F.  

Russian Journal of General Chemistry, Vol. 73, Iss. 7, 2003-07 ,pp. : 1065-1071

MAIK Nauka/Interperiodica

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Analysis of the Tautomeric Properties of 2-Formylcyclopentane-1,3-Dione Using the Data of IR Spectroscopy and Nonempirical (ab initio and DFT) Quantum-Chemical Calculations

By Gromak V.V.   Avakyan V.G.   Pashkovskii F.S.   Lakhvich O.F.   Skorodumov E.V.   Khlebnikova T.S.  

Journal of Applied Spectroscopy, Vol. 70, Iss. 1, 2003-01 ,pp. : 14-26

Springer Publishing Company

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Vibrational and electronic spectra of benzophenone in different phase states: Ab initio calculations and experiment

By Bezrodnaya T.   Mel’nik V.   Puchkovskaya G.   Savranskii L.  

Journal of Structural Chemistry, Vol. 47, Iss. 1, 2006-01 ,pp. : 194-199

Springer Publishing Company

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Molecular, thermodynamic, and kinetic parameters of iodomethanes and iodomethyl radicals: ab initio calculations

By Dymov B.   Skorobogatov G.   Tschuikow-Roux E.  

Russian Journal of General Chemistry, Vol. 74, Iss. 11, 2004-11 ,pp. : 1686-1696

MAIK Nauka/Interperiodica

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Ab initio calculations of structural, elastic, and electronic properties of silver nitrides

By Gordienko A.   Zhuravlev Yu.  

Journal of Structural Chemistry, Vol. 51, Iss. 3, 2010-06 ,pp. : 401-408

Springer Publishing Company

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