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Molecular structure and vibrational spectroscopic studies of prothionamide by density functional theory

A Yilmaz1, O Bolukbasi1

  • 1Istanbul University, Science Faculty, Physics Department, Vezneciler, 34134 Istanbul, Turkey.

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|July 29, 2015
PubMed

Keywords:
DFT calculationsELFNBOPotential energy surface mapProthionamideVibrational spectra

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