Journal of Photoscience

Korean Society of Photoscience (한국광과학회)
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Ab INITIO STUDY ON THE GLYClNEMETHYLESTER

  • Kim, Ja hong (Department of Chemistry Education, Chonbuk National University) ;
  • Sung ho Sohn (Department of Chemistry Education, Chonbuk National University) ;
  • Kee soo Yang (Department of Chemistry Education, Chonbuk National University) ;
  • Sung wan Hong (Department of Chemistry, Woosuk University)
  • Published : 1999.12.01
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Abstract

The conformational studies of glycinemethylester have been carried out by the ab initio method. We have optimized the geometries of glycinemethylester at various levels of sophisticated for electron exchange and correlation within MP2 level. The scale factors of glycinemethylester were used to obtain the scaled ab initio force field of the minimum energy conformer of it, which was used to predict the vibrational frequencies and their potential energy distribution. The Raman spectra of the glycinemethylester were compared with the observed one and the other calculated with HF/6-3IG level.

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References

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