A pattern for calculating vibrational spectra of organophosphorus compounds within the framework of the DFT/b3LYP method has been described using sarin and soman molecules as examples.
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Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 77, No. 4, pp. 517–521, July–August, 2010.
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Elkin, M.D., Tatarinov, S.I. & Stepanovich, E.Y. Vibrational spectra of sarin and soman conformers. J Appl Spectrosc 77, 479–483 (2010). https://doi.org/10.1007/s10812-010-9356-y
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DOI: https://doi.org/10.1007/s10812-010-9356-y