| 1. | Asphaltene aggregation under the influence of structural features and interaction energies: Combination of quantum mechanical and molecular dynamics approaches | Mani Vahid Dastjerdi a, Hani Sayahi a, Amin Koochaki b, Zahra Jamshidi | Colloids and Surfaces A: Physicochemical and Engineering Aspects | 2023 |
| 2. | Molecular Mechanisms of Asphaltene Stabilization by 2,6-Di-tert-butylnaphthalene | Mani Vahid Dastjerdi a, Hani Sayahi a, Zahra Jamshidi | Colloids and Surfaces A: Physicochemical and Engineering Aspects | 2023 |
| 3. | In silico design of novel anticancer drugs with
amino acid and carbohydrate building blocks to inhibit PIM kinases | Sepideh Kalhor and A. Fattahi | Molecular Simulation | 2022 |
| 4. | Computational insight into networking H-bonds in open and cyclic forms of galactose | Z. Mosapour Kotena and A. Fattahi | Journal of Molecular Structure | 2022 |
| 5. | Role of Herzberg–Teller Vibronic Coupling in Surface-Enhanced Resonance Raman Spectra of 4,4′-Diaminotolane with Nearly Close Molecular and Charge-Transfer Transitions | Z. Jamshidi, S. Ashtari-Jafari, A. Smirnov, and E. V. Solovyeva | The Journal of Physical Chemistry C | 2021 |
| 6. | Structural and Dynamical Fingerprints of the Anomalous Dielectric Properties of Water Under Confinement | I. Ahmadabadi, A. Esfandiar, A. Hassanali, and M.R. Ejtehadi | Physics Review Materials | 2021 |
| 7. | How Do Adsorbent Orientation and Direction of External Electric Field Affect the Charge-Transfer Surface-Enhanced Raman Spectra | S. Ashtari-Jafari and Z. Jamshidi | The Journal of Physical Chemistry C | 2021 |
| 8. | First Principle Simulation of Coated Hydroxychloroquine on Ag, Au and Pt Nanoparticles | R. Morad, M. Akbari, P. Rezaee, A. Koochaki, M. Maaza, and Z. Jamshidi | Scientific Reports | 2021 |
| 9. | Locomotion of the C60-based Nanomachines on Graphene Surfaces | S.M. Mofidi, H.N. Pishkenari, M.R. Ejtehadi, and A.V. Akimov | Scientific Reports | 2021 |
| 10. | Observation of High-Order Overtones and Combinations in Surface-Enhanced Raman Scattering: The Essential Role in Elucidation of the Chemical Mechanism | Elena V. Solovyeva and Zahra Jamshidi | The Journal of Physical Chemistry C | 2022 |
| 11. | Metal–Organic Cubane Cage with Trimethylplatinum(IV) Vertices | Zohreh Hendi, Sirous Jamali, Soheil Mahmoudi, Hamidreza Samouei, Sara Nayeri, Seyed Mohamad J. Chabok, and Zahra Jamshidi | Inorganic Chemistry | 2021 |
| 12. | Glycan-Mediated Functional Assembly of IL-1RI: Structural Insights into Completion of the Current Description for Immune Response | M. Azimzadeh Irani and M.R. Ejtehadi | Journal of Biomolecular Structure and Dynamics | 2020 |