List of Articles Mahdi Rezaei Sameti Article 1 - The effects of Na & Mg adsorption on the electrical properties of SiCNTs: A DFT study Mahdi Rezaei Sameti M. Rakhshi Journal of Physical & Theoretical Chemistry , Issue 5 , Year , Summer 2016 Article 2 - Interaction of SO2 gas with the pristine and B&O atoms doped AlNNTs: A DFT study Mahdi Rezaei Sameti Journal of Physical & Theoretical Chemistry , Issue 2 , Year , Winter 2017 Article 3 - A computational study of Nitramide adsorption on the surface of pristine and Ni functionalized (4,4) armchair Gallium nitride nanotubes Mahdi Rezaei Sameti Journal of Physical & Theoretical Chemistry , Issue 5 , Year , Summer 2017 Article 4 - The NBO, AIM, MEP, thermodynamic and quantum parameters investigations of Pyrrole 2-carboxylic acid molecule adsorption on the pristine and Ni doped B12N12 nano cage Mahdi Rezaei Sameti Zamanian F. Journal of Physical & Theoretical Chemistry , Issue 4 , Year , Spring 2019 Article 5 - The interaction of 5-Flucytosine drug with pristine and (n=1,2,3)H+ ions functionalized B12N12 nanocage: A DFT, TD-DFT, NLO and AIM study 10.30495/jptc.2021.20866 Mahdi Rezaei Sameti Samira Dosti Tapgombadi Journal of Physical & Theoretical Chemistry , Issue 5 , Year , Winter 2021