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

How does the integration of amino acids enhance the bonding ability of triazine-based inhibitors with iron surfaces: Insights from SCC-DFTB, COSMO-RS and molecular dynamics simulations

Journal article

Hassane Lgaz, Dong-Eun Lee, Ali Aldalbahi, Han-seung Lee
Journal of Molecular Liquids, vol. 414, 2024

DOI: 10.1016/j.molliq.2024.126274

Cite

APA Click to copy
Lgaz, H., Lee, D.-E., Aldalbahi, A., & Lee, H.-seung. (2024). How does the integration of amino acids enhance the bonding ability of triazine-based inhibitors with iron surfaces: Insights from SCC-DFTB, COSMO-RS and molecular dynamics simulations. Journal of Molecular Liquids, 414. https://doi.org/10.1016/j.molliq.2024.126274

Chicago/Turabian Click to copy
Lgaz, Hassane, Dong-Eun Lee, Ali Aldalbahi, and Han-seung Lee. “How Does the Integration of Amino Acids Enhance the Bonding Ability of Triazine-Based Inhibitors with Iron Surfaces: Insights from SCC-DFTB, COSMO-RS and Molecular Dynamics Simulations.” Journal of Molecular Liquids 414 (2024).

MLA Click to copy
Lgaz, Hassane, et al. “How Does the Integration of Amino Acids Enhance the Bonding Ability of Triazine-Based Inhibitors with Iron Surfaces: Insights from SCC-DFTB, COSMO-RS and Molecular Dynamics Simulations.” Journal of Molecular Liquids, vol. 414, 2024, doi:10.1016/j.molliq.2024.126274.

BibTeX Click to copy

@article{lgaz2024a,
  title = {How does the integration of amino acids enhance the bonding ability of triazine-based inhibitors with iron surfaces: Insights from SCC-DFTB, COSMO-RS and molecular dynamics simulations},
  year = {2024},
  journal = {Journal of Molecular Liquids},
  volume = {414},
  doi = {10.1016/j.molliq.2024.126274},
  author = {Lgaz, Hassane and Lee, Dong-Eun and Aldalbahi, Ali and Lee, Han-seung}
}