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Modeling the vibrational spectrum of 4,4′-diphenylmethane-bis(methyl)carbamate

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Journal of Applied Spectroscopy Aims and scope

We present results of ab initio calculations of the structure and vibrational IR spectrum for 4,4′-diphenylmethane-bis(methyl)carbamate (DPMC). Calculations were carried out in the HF/6-311G approximation with subsequent force-field scaling. The calculated characteristics of the vibrational spectrum of DPMC show satisfactory agreement with experimental values, which permits them to be used in spectral and structural analysis

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Authors and Affiliations

  1. Belarusian State University, 4 Nezavisimosti Ave., Minsk, 220030, Belarus

    M. B. Shundalau & G. A. Pitsevich

  2. A. N. Sevchenko Institute of Applied Physical Problems at Belarusian State University, Minsk, Belarus

    M. A. Ksenofontov & D. S. Umreiko

Authors
  1. M. B. Shundalau
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  2. G. A. Pitsevich
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  3. M. A. Ksenofontov
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  4. D. S. Umreiko
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Corresponding author

Correspondence to M. B. Shundalau.

Additional information

Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 77, No. 3, pp. 333–339, May–June, 2010.

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Shundalau, M.B., Pitsevich, G.A., Ksenofontov, M.A. et al. Modeling the vibrational spectrum of 4,4′-diphenylmethane-bis(methyl)carbamate. J Appl Spectrosc 77, 309–314 (2010). https://doi.org/10.1007/s10812-010-9332-6

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  • DOI: https://doi.org/10.1007/s10812-010-9332-6

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