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Structural, electronic, and energetic investigations of acrolein adsorption on B36 borophene nanosheet: a dispersion-corrected DFT insight.
J Mol Model. 2020 May 9;26(6):128. doi: 10.1007/s00894-020-04388-3.
J Mol Model. 2020.
PMID: 32388759
In Search of Preferential Macrocyclic Hosts for Sulfur Mustard Sensing and Recognition: A Computational Investigation through the New Composite Method r2SCAN-3c of the Key Factors Influencing the Host-Guest Interactions.
Messiad FA, Ammouchi N, Belhocine Y, Alhussain H, Ghoniem MG, Said RB, Ali FAM, Rahali S.
Messiad FA, et al. Among authors: ammouchi n.
Nanomaterials (Basel). 2022 Jul 22;12(15):2517. doi: 10.3390/nano12152517.
Nanomaterials (Basel). 2022.
PMID: 35893486
Free PMC article.
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