List of Articles TD-DFT

• Open Access Article
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  1 - TD-DFT Calculations, Electronic Structure, Biological Activity, NBO, NLO Analysis and Electronic Absorption Spectra of Some 3-Formylchromone Derivatives
  Shimaa Hussien hussien moustafa Nabil H. Amin Magdy A. Ibrahima ELShimaa Ibrahima
• Open Access Article
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  • Full-Text
  
  2 - Excited-State Parameters of One Intramolecular Cyclization by TD-DFT, CIS and ZINDO Methods
  M. H. Ghorbani R. Fazaeli A. Ghoorchian
• Open Access Article
  • Abstract Page
  • Full-Text
  
  3 - Substituent effect on the stability and electronic properties of naphthalene and azulene: A computational investigation
  Reza Jafari Reza Ghiasi Bita Mohtat
• Open Access Article
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  4 - Optoelectronical Properties of a Metalloid-Doped B12N12 Nano-Cage
  elham tazikeh fatemeh azimi fariborz kaveh majid monajemi