Rahali S - Search Results

1

An expanded halogen bonding scale using astatine.

Liu L, Rahali S, Maurice R, Gomez Pech C, Montavon G, Le Questel JY, Graton J, Champion J, Galland N. Liu L, et al. Among authors: rahali s. Chem Sci. 2021 Jul 12;12(32):10855-10861. doi: 10.1039/d1sc02133h. eCollection 2021 Aug 18. Chem Sci. 2021. PMID: 34447565 Free PMC article.

2

Spin-orbit coupling as a probe to decipher halogen bonding.

Graton J , Rahali S , Le Questel JY , Montavon G , Pilmé J , Galland N . Graton J , et al. Among authors: rahali s. Phys Chem Chem Phys. 2018 Dec 5;20(47):29616-29624. doi: 10.1039/c8cp05690k. Phys Chem Chem Phys. 2018. PMID: 30318527

3

Delocalized relativistic effects, from the viewpoint of halogen bonding.

Sarr S, Graton J, Rahali S, Montavon G, Galland N. Sarr S, et al. Among authors: rahali s. Phys Chem Chem Phys. 2021 Feb 25;23(7):4064-4074. doi: 10.1039/d0cp05840h. Phys Chem Chem Phys. 2021. PMID: 33433548

4

DFT-D4 Insight into the Inclusion of Amphetamine and Methamphetamine in Cucurbit[7]uril: Energetic, Structural and Biosensing Properties.

Litim A, Belhocine Y, Benlecheb T, Ghoniem MG, Kabouche Z, Ali FAM, Abdulkhair BY, Seydou M, Rahali S. Litim A, et al. Among authors: rahali s. Molecules. 2021 Dec 10;26(24):7479. doi: 10.3390/molecules26247479. Molecules. 2021. PMID: 34946564 Free PMC article.

5

Evaluation of a new series of pyrazole derivatives as a potent epidermal growth factor receptor inhibitory activity: QSAR modeling using quantum-chemical descriptors.

Said RB, Hanachi R, Rahali S, Alkhalifah MAM, Alresheedi F, Tangour B, Hochlaf M. Said RB, et al. Among authors: rahali s. J Comput Chem. 2021 Dec 15;42(32):2306-2320. doi: 10.1002/jcc.26761. Epub 2021 Oct 5. J Comput Chem. 2021. PMID: 34609748

6

Adsorption Behavior of Congo Red onto Barium-Doped ZnO Nanoparticles: Correlation between Experimental Results and DFT Calculations.

Rahali S, Ben Aissa MA, Khezami L, Elamin N, Seydou M, Modwi A. Rahali S, et al. Langmuir. 2021 Jun 22;37(24):7285-7294. doi: 10.1021/acs.langmuir.1c00378. Epub 2021 Jun 8. Langmuir. 2021. PMID: 34102848

7

p-Trifluoromethyl- and p-pentafluorothio-substituted curcuminoids of the 2,6-di[(E)-benzylidene)]cycloalkanone type: Syntheses and activities against Leishmania major and Toxoplasma gondii parasites.

Al Nasr IS, Hanachi R, Said RB, Rahali S, Tangour B, Abdelwahab SI, Farasani A, M E Taha M, Bidwai A, Koko WS, Khan TA, Schobert R, Biersack B. Al Nasr IS, et al. Among authors: rahali s. Bioorg Chem. 2021 Sep;114:105099. doi: 10.1016/j.bioorg.2021.105099. Epub 2021 Jun 17. Bioorg Chem. 2021. PMID: 34174635

8

Highly Selective Polypyrrole MIP-Based Gravimetric and Electrochemical Sensors for Picomolar Detection of Glyphosate.

Mazouz Z, Rahali S, Fourati N, Zerrouki C, Aloui N, Seydou M, Yaakoubi N, Chehimi MM, Othmane A, Kalfat R. Mazouz Z, et al. Among authors: rahali s. Sensors (Basel). 2017 Nov 9;17(11):2586. doi: 10.3390/s17112586. Sensors (Basel). 2017. PMID: 29120397 Free PMC article.

9

Structural and energetic investigation on the host/guest inclusion process of benzyl isothiocyanate into β-cyclodextrin using dispersion-corrected DFT calculations.

Bouhadiba A, Rahali S, Belhocine Y, Allal H, Nouar L, Rahim M. Bouhadiba A, et al. Among authors: rahali s. Carbohydr Res. 2020 May;491:107980. doi: 10.1016/j.carres.2020.107980. Epub 2020 Mar 18. Carbohydr Res. 2020. PMID: 32199172

10

Structural, electronic, and energetic investigations of acrolein adsorption on B₃₆ borophene nanosheet: a dispersion-corrected DFT insight.

Allal H, Belhocine Y, Rahali S, Damous M, Ammouchi N. Allal H, et al. Among authors: rahali s. J Mol Model. 2020 May 9;26(6):128. doi: 10.1007/s00894-020-04388-3. J Mol Model. 2020. PMID: 32388759

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