Volume 1, Issue 1

 

ارسال های اخیر

  • First Princiles Study of the Electron Transport Properties of Buthane-dithiol Nano-Molecular Wire 

    Ahmadi, Roya؛ Darvish Ganji, Masoud (Iranian Chemical Science and Technologies Association, 2014-01-01)
    We report a first-principles study of electrical transport in a single molecular conductor consisting of a buthane-dithiol sandwiched between two Au (100) electrodes. We show that the current was increased by increasing ...

  • Aniline Adsorption on the Surface of a BN Nanotube: A Computational Study 

    Noei, Maziar؛ Ebadola, Shima؛ Salari, Ali Akbar (Iranian Chemical Science and Technologies Association, 2014-01-01)
    Electrical sensitivity of a boron nitride nanotube (BNNT) was examined toward aniline (C6H5NH2) molecule by using density functional theory (DFT) calculations at the B3LYP/6-31G (d) level, ...

  • The Study of Substituent Effect on Osmabenzene Complexes 

    Ghiasi, Reza؛ Ahmadi, Roya (Iranian Chemical Science and Technologies Association, 2014-01-01)
    The electronic structure and properties of the osmaabenzenes and para substituted osmabenzenes have been explored using the hybrid density functional mpw1pw91 theory. Systematic studies on the substituent effect ...

  • Adsorption of Ethanol by Using BN Nanotube: A DFT Study 

    Noei, Maziar؛ Ghaemizadeh, Mojgan (Iranian Chemical Science and Technologies Association, 2014-01-01)
    Electrical sensitivity of a boron nitride nanotube (BNNT)  was examined toward C2H5OH molecules by using density functional theory (DFT)  calculations . It was founding that the adsorption ...

  • Determination of Amitriptyline Using Bromate-Bromide and Two Dyes 

    Bagheri Gh, Azar؛ Bagheri, Mahnaz (Iranian Chemical Science and Technologies Association, 2014-01-01)
    Abstract: Spectrophotometric studies were successfully used in quantitative analysis of Amitriptyline Hydrochloride (ATH) Two new methods using spectrophotometry are described for ...