مرور Volume 15, Issue 1 بر اساس موضوع "DFT"

  • Computational Investigation on Naphthoquinone Derivatives :Nuclear Magnetic Resonance (NMR) and Quantum mechanic 

    sharifi, shamsa (Tehran, Islamic Azad University of Iran, Science and Research Branch, 2018-01-01)
    Naphthoquinones are natural aromatic compounds that can be discovered in various plant families. In recent times a diversity of biological activities of these compounds has been reported. In most cases, these pharmacological ...

  • Theoretical structural analysis of 3-CHLORO-4-FLUORO-ANILINE. 

    Aziz, Muhammad؛ Nadeem, Sohail؛ Anwar, Muhammad (Tehran, Islamic Azad University of Iran, Science and Research Branch, 2018-01-01)
    This study was designed to compute the spectroscopic properties of aniline family, and educates the 3chloro-4-fluoro-aniline, which have unique pharmaceutical important. The structural and spectroscopic properties were ...