List of Articles Density functional theory Open Access Article Abstract Page Full-Text 1 - Molecular Docking and DFT Study On the Interaction Between Quercetin on surface B12N12 Fullerene Mohammad Taghi Baei Open Access Article Abstract Page Full-Text 2 - Energetic and electronic properties of bilirubin photoisomerization products using density functional theory Maryam Taheri احسان زاهدی Mohammad Taghi Baei Open Access Article Abstract Page Full-Text 3 - Investigating the adsorption and antioxidant properties of Gallic acid on surface the B12N12 fullerene using quantum mechanical DFT and Molecular Docking Mohammad Taghi Baei khadijeh tavakoli hafshejani Open Access Article Abstract Page Full-Text 4 - Synthesis and application of core-shell magnetic molecularly imprinted polymer for the selective extraction of metronidazole from biological fluids: Isotherms and kinetic Raheleh Sanjari maryam kazemipour mehdi ansari leila zeidabadinejad 10.30495/qafj.2022.1965857.1036 Open Access Article Abstract Page Full-Text 5 - A Computational Study on 3-Picrylamino-1,2,4-triazole Adsorption on the Surface of Carbon Nanocone Mohammad Reza Jalali Sarvestani Roya Ahmadi Open Access Article Abstract Page Full-Text 6 - A Computational Study on Lomustine Adsorption on the Surface of Graphene Quantum Dots Mohammad Reza Jalali Sarvestani Roya Ahmadi Open Access Article Abstract Page Full-Text 7 - Substituent effect on the stability and electronic properties of naphthalene and azulene: A computational investigation Reza Jafari Reza Ghiasi Bita Mohtat Open Access Article Abstract Page Full-Text 8 - First-Principles Study of Structure, Electronic and Optical Properties of HgSe in Zinc Blende (B3) Phase Hamdollah Salehi Firoozeh Anis Hoseini
