Chibani S - Search Results

1

Capture of Gaseous Iodine in Isoreticular Zirconium-Based UiO-n Metal-Organic Frameworks: Influence of Amino Functionalization, DFT Calculations, Raman and EPR Spectroscopic Investigation.

Leloire M, Walshe C, Devaux P, Giovine R, Duval S, Bousquet T, Chibani S, Paul JF, Moissette A, Vezin H, Nerisson P, Cantrel L, Volkringer C, Loiseau T. Leloire M, et al. Among authors: chibani s. Chemistry. 2022 Mar 7;28(14):e202104437. doi: 10.1002/chem.202104437. Epub 2022 Feb 10. Chemistry. 2022. PMID: 35142402

2

A DFT study of RuO₄ interactions with porous materials: metal-organic frameworks (MOFs) and zeolites.

Chibani S , Badawi M , Loiseau T , Volkringer C , Cantrel L , Paul JF . Chibani S , et al. Phys Chem Chem Phys. 2018 Jun 20;20(24):16770-16776. doi: 10.1039/c8cp01950a. Phys Chem Chem Phys. 2018. PMID: 29888355

3

Impact of the Si/Al ratio on the selective capture of iodine compounds in silver-mordenite: a periodic DFT study.

Chibani S, Chebbi M, Lebègue S, Cantrel L, Badawi M. Chibani S, et al. Phys Chem Chem Phys. 2016 Sep 14;18(36):25574-25581. doi: 10.1039/c6cp05015h. Phys Chem Chem Phys. 2016. PMID: 27722672

4

Performance of Cu^II -, Pb^II -, and Hg^II -Exchanged Mordenite in the Adsorption of I₂ , ICH₃ , H₂ O, CO, ClCH₃ , and Cl₂ : A Density Functional Study.

Chibani S, Medlej I, Lebègue S, Ángyán JG, Cantrel L, Badawi M. Chibani S, et al. Chemphyschem. 2017 Jun 20;18(12):1642-1652. doi: 10.1002/cphc.201700104. Epub 2017 May 19. Chemphyschem. 2017. PMID: 28380275

5

Dissociative iodomethane adsorption on Ag-MOR and the formation of AgI clusters: an ab initio molecular dynamics study.

Bučko T, Chibani S, Paul JF, Cantrel L, Badawi M. Bučko T, et al. Among authors: chibani s. Phys Chem Chem Phys. 2017 Oct 18;19(40):27530-27543. doi: 10.1039/c7cp05562e. Phys Chem Chem Phys. 2017. PMID: 28976509

6

A DFT investigation of the adsorption of iodine compounds and water in H-, Na-, Ag-, and Cu- mordenite.

Chibani S, Chebbi M, Lebègue S, Bučko T, Badawi M. Chibani S, et al. J Chem Phys. 2016 Jun 28;144(24):244705. doi: 10.1063/1.4954659. J Chem Phys. 2016. PMID: 27369531

7

Excited states of ladder-type π-conjugated dyes with a joint SOS-CIS(D) and PCM-TD-DFT approach.

Chibani S, Laurent AD, Le Guennic B, Jacquemin D. Chibani S, et al. J Phys Chem A. 2015 May 28;119(21):5417-25. doi: 10.1021/jp509700c. Epub 2015 Jan 8. J Phys Chem A. 2015. PMID: 25522826

8

The NBO pattern in luminescent chromophores: unravelling excited-state features using TD-DFT.

Le Guennic B, Chibani S, Charaf-Eddin A, Massue J, Ziessel R, Ulrich G, Jacquemin D. Le Guennic B, et al. Among authors: chibani s. Phys Chem Chem Phys. 2013 May 28;15(20):7534-40. doi: 10.1039/c3cp50669j. Epub 2013 Apr 12. Phys Chem Chem Phys. 2013. PMID: 23584386

9

Full cLR-PCM calculations of the solvatochromic effects on emission energies.

Chibani S, Budzák Š, Medved' M, Mennucci B, Jacquemin D. Chibani S, et al. Phys Chem Chem Phys. 2014 Dec 21;16(47):26024-9. doi: 10.1039/c4cp03919j. Epub 2014 Oct 31. Phys Chem Chem Phys. 2014. PMID: 25358902

10

Solvent effects on cyanine derivatives: a PCM investigation.

Jacquemin D, Chibani S, Le Guennic B, Mennucci B. Jacquemin D, et al. Among authors: chibani s. J Phys Chem A. 2014 Jul 17;118(28):5343-8. doi: 10.1021/jp504591t. Epub 2014 Jul 7. J Phys Chem A. 2014. PMID: 24959873

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