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DFT study of conformational and vibrational characteristics of 2-(2-hydroxyphenyl)benzothiazole molecule

Urmila Pandey1, Mayuri Srivastava2, R P Singh1

  • 1Department of Chemistry, UP (PG) Autonomous College, Varanasi 221002, India.

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|April 15, 2014
PubMed

Keywords:
Conformational studyHOMO–LUMONBO analysisOptimized molecular geometriesVibrational study

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