Vibrational spectra and structural dynamic models of halosubstituted formaldehyde |
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| Authors: | M D Él’kin A B Osin |
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| Institution: | (1) Technology Institute, Saratov State Technical University, 17 pl. Svobody, Engel’s, 413100, Russia |
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| Abstract: | The DFT/B3LYP method with 6-31G*(**) basis sets has been used to analyze the vibrational spectra of halo-substituted formaldehyde
in the anharmonic approximation.
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Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 73, No. 5, pp. 683–686, September–October, 2006. |
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| Keywords: | vibrational spectra of phosgene adiabatic potential structural dynamic model anharmonic constants |
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