| ۱ | Diels–Alder [4+2] Cycloadditions of C20 with Some Diene and 1,2-Dioxo Compounds: A Theoretical Study | Zahra Tavangar | Journal of Nanostructures | 2012 |
| ۲ | The structural and electronic properties of (10,0) zigzag Single-Wall Carbon Nanotubes modified by thiophene groups | M. Hamadanian-Z. Tavangar-S. Naseh | Chemical Physics Letters | 2013 |
| ۳ | Modification of conductive properties of (10, 0) zigzag single-walled carbon nanotubes (SWCNT) by alkali metals absorption | M. Hamadanian-Z. Tavangar-B. Noori | Journal of Molecular Structure | 2014 |
| ۴ | Modification of the electronic properties of zigzag (n = 5–10) and armchair (n = 3, 5) carbon nanotubes by K atom adsorption | M. Hamadanian-Z. Tavangar-B. Noori | Structal Chemistry | 2014 |
| ۵ | Improvement of electronic properties of carboxylated zigzag single wall carbon nanotubes by interaction with benzene derivatives | M. Hamadanian-Z. Tavangar-S. Naseh | Current Applied Physics | 2015 |
| ۶ | Efficiency improvement of new Tetratheinoacene-based dyes by enhancing donor, acceptor and bridge units, a theoretical study | Z. Tavangar-N. Zareie | SPECTROCHIM ACTA A | 2016 |
| ۷ | Variation of the electronic properties of zigzag boron nitride nanotubes by Al doping, A DFT study | Z. Tavangar-M. Hamadanian-H. Basharnavaz | Molecular Physics | 2016 |
| ۸ | The modification of benzene adsorption on zigzag single-wall carbon nanotubes by carboxylation | M. Hamadanian Z. Tavangar S. Naseh | Materials Research Express | 2016 |
| ۹ | Photocatalyst Ag@N/TiO2 nanoparticles: Fabrication, characterization, and investigation of the effect of coating on methyl orange dye degradation | P. Mehdizadeh-Z. Tavangar | Journal of Nanostructures | 2017 |
| ۱۰ | Studying the effects of the configuration of doped Al atoms on the conductive properties of boron nitride nanotube using density functional theory | Z. Tavangar-M. Hamadanian-H. Basharnavaz | Chemical Physics Letters | 2017 |
| ۱۱ | Computational study on the functionalization of BNNC with pyrrole molecule | A. Payvand-Z. Tavangar | Superlattices and Microstructures | 2018 |
| ۱۲ | Investigating the adsorption of nitrobenzene on M/Pd (1 1 1) bimetallic surface as an effective catalyst | Z. Hajiahmadi-Z. Tavangar | Applied Surface Science | 2018 |
| ۱۳ | Hydrogen storage on uncharged and positively charged Mg-decorated graphene | Zahra Amaniseyed- Zahra Tavangar | International Journal Of Hydrogen Energy | 2019 |
| ۱۴ | Extensive theoretical study of corrosion inhibition efficiency of some pyrimidine derivatives on iron and the proposal of new inhibitor | Z. Hajiahmadi-Z. Tavangar | Journal of Molecular Liquids | 2019 |
| ۱۵ | A DFT Study of the Reaction between Benzopyrene Epoxide and C60 Derivatives as Possible Anticancer Activity | Zahra Hajiahmadi-Zahra Tavangar-Hadi Behzadi | Polycyclic Aromatic Compounds | 2019 |
| ۱۶ | Boron decorated graphene nanosheet as an ultrasensitive sensor: the role of coverage | Seyedeh Leila Fani-Zahra Tavangar-Ali Kazempour | Journal of Molecular Modeling | 2019 |