Keywords = Density Functional Theory (DFT)
Number of Articles: 5
1. Study of phosphorene nanoribbon for making nanotube selective gas sensor

Articles in Press, Accepted Manuscript, Available Online from 17 August 2021

Hossein Bahmani Kazerooni; Rahim Ghayour; Farshad Pesaran


2. Cycloaddition [2+2] interaction of some Corticosteroid drugs with C60 nano fullerene: A theoretical study

Volume 12, Issue 2, Spring 2021, Pages 156-163

Mohammad Hossein Fekri; Akram Beyranvand; Hossein Dashti Khavidaki; Maryam Razavi Mehr


3. Adsorption of Metronidazole drug on the surface of nano fullerene C60 doped with Si, B and Al: A DFT study

Volume 11, Issue 4, Autumn 2020, Pages 346-354

Mohammad Hossein Fekri; Rahim Bazvand; Mousa Soleymani; Maryam Razavi Mehr


4. Electronic properties of hydrogenated porous Graphene based nanoribbons: A density functional theory study

Volume 11, Issue 2, Spring 2020, Pages 112-119

Roya Majidi; Ali Reza Karami; Khatereh Rahmani; Amir Mohammad Khairogli


5. Effect of B12N12 junction on the energetic and chemical features of PATO: A density functional theory investigation

Volume 10, Issue 1, Winter 2019, Pages 62-68

Maryam Godarzi; Roya Ahmadi; Reza Ghiasi; Mohammad Yousefi