Hassane LGAZ, PhD, MRSC

Associate Professor of Chemistry | Hanyang University ERICA, South Korea


Curriculum vitae



Center for Creative Convergence Education; Innovative Durable Building and Infrastructure Research Center

Hanyang University



Multiscale computational modeling of phytochemicals for iron corrosion inhibition: Bridging DFT, SCC-DFTB, and molecular dynamics for eco-friendly solutions


Journal article


Nuha Wazzan, I.B. Obot, Hassane Lgaz, Zaki Safi, Ohoud Al-Qurashi
Journal of Molecular Liquids, vol. 406, 2024


Cite

Cite

APA   Click to copy
Wazzan, N., Obot, I. B., Lgaz, H., Safi, Z., & Al-Qurashi, O. (2024). Multiscale computational modeling of phytochemicals for iron corrosion inhibition: Bridging DFT, SCC-DFTB, and molecular dynamics for eco-friendly solutions. Journal of Molecular Liquids, 406. https://doi.org/10.1016/j.molliq.2024.125070


Chicago/Turabian   Click to copy
Wazzan, Nuha, I.B. Obot, Hassane Lgaz, Zaki Safi, and Ohoud Al-Qurashi. “Multiscale Computational Modeling of Phytochemicals for Iron Corrosion Inhibition: Bridging DFT, SCC-DFTB, and Molecular Dynamics for Eco-Friendly Solutions.” Journal of Molecular Liquids 406 (2024).


MLA   Click to copy
Wazzan, Nuha, et al. “Multiscale Computational Modeling of Phytochemicals for Iron Corrosion Inhibition: Bridging DFT, SCC-DFTB, and Molecular Dynamics for Eco-Friendly Solutions.” Journal of Molecular Liquids, vol. 406, 2024, doi:10.1016/j.molliq.2024.125070.


BibTeX   Click to copy

@article{wazzan2024a,
  title = {Multiscale computational modeling of phytochemicals for iron corrosion inhibition: Bridging DFT, SCC-DFTB, and molecular dynamics for eco-friendly solutions},
  year = {2024},
  journal = {Journal of Molecular Liquids},
  volume = {406},
  doi = {10.1016/j.molliq.2024.125070},
  author = {Wazzan, Nuha and Obot, I.B. and Lgaz, Hassane and Safi, Zaki and Al-Qurashi, Ohoud}
}



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