| ۱ | Derivatives of [P4-VP] 2% DVB as corrosion inhibitors for St-37 in 1 M H2SO4: an experimental and theoretical investigations | Seyed Yousef Mosavian,Meissam Noroozifar,Mohammad Ali Karimi Zarchi,Zeinab Hamidi,Najmeh Sabbaghi | Polymer bulletin | 2022 |
| ۲ | The combination of polyphenols and phospholipids as an efficient platform for delivery of natural products | Mohammad Yahya Hanafi‑Bojd,Milad Iranshahy,Asghar Zarban | Scientific Reports | 2023 |
| ۳ | A comparative study of open-close and related rotamers methods to evaluate in 3-imino-propen-1-ol and its derivatives | ,,, | International Journal of Quantum Chemistry | 2012 |
| ۴ | Engineering and design of a COF-coated probe for the detection and removal of flumequine and enrofloxacin antibiotics in foodstuffs: a molecular dynamics simulation approach | فرزانه فرزاد,علیرضا نخعی,مریم علائی,حیدر رئیسی | Discover Food | 2025 |
| ۵ | Significantly enhanced performance for phenol compounds removal by MOF-5 nano-composite via its surface modification | فرزانه فرزاد,عذرا هاشم زهی,سیده لیلا رضوی خوسفی,حیدر رئیسی | Npj clean water | 2024 |
| ۶ | Theoretical study on β-aminoacroleine; Density functional theory, atoms in molecules theory and natural bond orbitals studies | _ | Proceedings of the Indian Academy of Sciences - Mathematical Sciences | 2011 |
| ۷ | Substituent effect on structure, electron density, and intramolecular hydrogen bonding in nitroso‐oxime methane | ,,, | International Journal of Quantum Chemistry | 2010 |
| ۸ | The effects of substitutions on structure, electron density, resonance and intramolecular hydrogen bonding strength in 3-mercapto-propenethial | ,,,, | Journal of Molecular Structure-theochem | 2010 |
| ۹ | Ab initio and DFT computational studies on molecular conformations and intramolecular hydrogen bonding in 3-mercapto-but-2-enethial | , | Journal of Sulfur Chemistry | 2010 |
| ۱۰ | In silico design and simulation of graphene oxide-based metal-organic framework nanomaterial for water purification | حیدر رئیسی,مهناز شهابی,علی احمدپور | Applied Water Science | 2025 |
| ۱۱ | Assessment of water purification by IRMOF-1 based on rGO as a new nanoengineered adsorbent: Insights from adsorption mechanism | حیدر رئیسی,مهناز شهابی,علی احمدپور | Journal of Molecular Liquids | 2024 |
| ۱۲ | Synthesis of graphene oxide-magnesium oxide composites and cationic dyes removal from water | حیدر رئیسی | Desalination and Water Treatment | 2023 |
| ۱۳ | Synthesis of graphene oxide-magnesium oxide composites and cationic dyes removal from water | حیدر رئیسی,نرجس بهزاد,امید مرادی,محمد حکیمی,شهلا مظفری | Desalination and Water Treatment | 2023 |
| ۱۴ | Theoretical insights into the intermolecular and mechanisms of covalent interaction of Flutamide drug with COOH and COCl functionalized carbon nanotubes: A DFT approach | حیدر رئیسی | Chemical review and letters | 2020 |
| ۱۵ | Enhancing water quality: using non-covalently functionalized carbon nanotubes for antibiotic removal | Sedigheh Abdollahi | Applied Water Science | 2026 |
| ۱۶ | Engineered crystalline polymers for effective contaminant removal from water | afsaneh ghahari,ha he910 | Scientific Reports | 2025 |
| ۱۷ | The role of microplastics as vectors of antibiotic contaminants via a molecular simulation approach | Sedigheh Abdollahi | Scientific Reports | 2025 |
| ۱۸ | Chemically tuned radiolabeling and membrane affinity in Drug-Functionalized carbon nanotube nanocarriers | Sedigheh Abdollahi | Scientific Reports | 2025 |
| ۱۹ | Engineered nanoparticles as Selinexor drug delivery systems across the cell membrane and related signaling pathways in cancer cells | _ | Journal of Molecular Graphics and Modelling | 2024 |
| ۲۰ | Examine stability polyvinyl alcohol‑stabilized nanosuspensions to overcome the challenge of poor drug solubility utilizing molecular dynamic simulation | Sedigheh Abdollahi | Scientific Reports | 2024 |
