Browsing by Author "Khrapkovskii G."

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  • Shaikhullina R.; Khrapkovskii G.; Sarvarov F. (2014)
    © Published under licence by IOP Publishing Ltd. Methyl nitrate vibration spectra theoretical analysis data within the B3LYP density functional theory method in the 6 -31G (d) basis are represented. When optimizing the ...
  • Shlyapochnikov V.; Khrapkovskii G.; Shamov A. (2002)
    Structures and force fields for several mononitroalkane molecules were determined by ab initio quantum-chemical methods. The data obtained were used for calculation of the frequencies and modes of normal vibrations. ...

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