مرور Volume 2, Issue 2 بر اساس تاریخ انتشار

  • A DFT Study of the Nuclear Magnetic Properties of Fullerenes 

    Kalateh, Khadijeh؛ Kheirollahpoor, Sara (Iranian Chemical Science and Technologies Association, 2015-05-01)
    The stable configurations, electronic structure and magnetic properties of B16N16, B8C24, Al and P inserted (BC3)8 was studied by performing density functional ...

  • The Investigation of Pyrocatechol Electrochemical Mechanism in Presence of Nitrite Ion on Platinum Electrode 

    Helmi, Maryam؛ Mazloomifar, Ali؛ Parsa, Ali (Iranian Chemical Science and Technologies Association, 2015-05-01)
    In this study, the electrochemical mechanism of catechol in presence and absence of nitrite ion, is investigated in phosphate buffer medium (pH=7) using platinum electrode through cyclic voltammetry method in various scan ...

  • Study of Nitro Factor Dislodgement in Fox-7 

    Nikmaram, Farrokh Roya؛ Najafpour, Jamshid؛ Sheikh, Behzad (Iranian Chemical Science and Technologies Association, 2015-05-01)
    Since FOX-7 (1, 1-diamino-2, 2-dinitroethylene) is a relatively new energetic material, little is known about its physical and chemical properties. Therefore, first-principles quantum chemical calculations are used to ...