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Vibrational spectroscopic (FTIR and FT Raman) studies, first order hyperpolarizabilities and HOMO, LUMO analysis of p-toluenesulfonyl isocyanate using ab initio HF and DFT methods

Vibrational spectroscopic (FTIR and FT Raman) studies, first order hyperpolarizabilities and HOMO, LUMO analysis of p-toluenesulfonyl isocyanate using ab initio HF and DFT methods

K. Parimala; V. Balachandran
  • 作者K. Parimala; V. Balachandran
  • 卷第81卷
  • 期第1期
  • 印刷ISSN1386-1425
  • 文件大小1150.64KB
  • 发表时间2011
  • DOI10.1016/j.saa.2011.07.011
  • 页码711-723
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