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Journal of Applied Spectroscopy

, Volume 72, Issue 4, pp 606–609 | Cite as

Anharmonic Analysis of the Vibrational States of Phenyldichlorarsine and Phenyldichlorphosphine

  • P. M. El'kin
  • O. V. Pulin
  • V. F. Pulin
Brief Communications
  • 11 Downloads

Abstract

Using the DFT/B3LYP method with the basis set 6-31G*(**), we analyzed the vibrational spectra of the conformers phenyldichlorarsine and phenyldichlorphosphine in the anharmonic approximation.

Keywords

calculation anharmonic vibrational spectra lewisite structural dynamic model anharmonic constants 

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Copyright information

© Springer Science+Business Media, Inc. 2005

Authors and Affiliations

  • P. M. El'kin
    • 1
  • O. V. Pulin
    • 1
  • V. F. Pulin
    • 1
  1. 1.Technological Institute of the Saratov State Technical UniversityEngel'sRussia

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