Shalabi AS - Search Results

1

Single-and double transition metal atoms anchored C₂N as a high-activity catalyst for CO oxidation: A first-principles study.

Abdel Aal S, Soliman KA, Shalabi AS. Abdel Aal S, et al. Among authors: shalabi as. J Mol Graph Model. 2024 May;128:108704. doi: 10.1016/j.jmgm.2024.108704. Epub 2024 Jan 19. J Mol Graph Model. 2024. PMID: 38306789

2

Adsorption and spin state properties of Cr, Ni, Mo, and Pt deposited on Li⁺ and Na⁺ monovalent cation impurities of MgO (001) surface: DFT calculations.

Shalabi AS, Assem MM, Soliman KA. Shalabi AS, et al. J Mol Model. 2011 Dec;17(12):3299-308. doi: 10.1007/s00894-011-1017-4. Epub 2011 Mar 4. J Mol Model. 2011. PMID: 21369929

3

A comparative theoretical study of metal functionalized carbon nanocones and carbon nanocone sheets as potential hydrogen storage materials.

Shalabi AS, Soliman KA, Taha HO. Shalabi AS, et al. Phys Chem Chem Phys. 2014 Sep 28;16(36):19333-9. doi: 10.1039/c4cp02726d. Phys Chem Chem Phys. 2014. PMID: 25099825

4

DFT study of adsorbing SO₂, NO₂, and NH₃ gases based on pristine and carbon-doped Al₂₄N₂₄ nanocages.

Taha RA, Shalabi AS, Assem MM, Soliman KA. Taha RA, et al. Among authors: shalabi as. J Mol Model. 2023 Apr 14;29(5):140. doi: 10.1007/s00894-023-05547-y. J Mol Model. 2023. PMID: 37059860 Free PMC article.

5

The effect of C-vacancy on hydrogen storage and characterization of H2 modes on Ti functionalized C60 fullerene a first principles study.

Shalabi AS, El Mahdy AM, Taha HO. Shalabi AS, et al. J Mol Model. 2013 Mar;19(3):1211-25. doi: 10.1007/s00894-012-1615-9. Epub 2012 Nov 17. J Mol Model. 2013. PMID: 23160931

6

FA(I):A(+) and FA(II):Cu(+) laser activity and photographic sensitization at the low coordinated surfaces of AgBr ab initio calculations.

Shalabi AS. Shalabi AS. J Comput Chem. 2002 Aug;23(11):1104-20. doi: 10.1002/jcc.10109. J Comput Chem. 2002. PMID: 12116397

7

Role of cationic size in the optical properties of the LiCl crystal surface: theoretical study.

Abdel Halim WS, Abdullah N, Abdel-Aal S, Shalabi AS. Abdel Halim WS, et al. Among authors: shalabi as. J Mol Model. 2012 Jun;18(6):2493-500. doi: 10.1007/s00894-011-1269-z. Epub 2011 Oct 28. J Mol Model. 2012. PMID: 22033757

8

F+ tunable laser activity and interaction of atomic halogens (F, Cl and Br) at the low coordinated surface sites of SrOAb initio and DFT calculations.

Shalabi AS. Shalabi AS. J Mol Model. 2002 Oct;8(10):314-26. doi: 10.1007/s00894-002-0100-2. Epub 2002 Oct 25. J Mol Model. 2002. PMID: 12483231

9

Spectral studies and molecular orbital PPP-calculations of some azo-dyes.

Shalabi AS, Dessouki HA, Issa YM, Ahmed IS. Shalabi AS, et al. Spectrochim Acta A Mol Biomol Spectrosc. 2002 Oct;58(12):2765-9. doi: 10.1016/s1386-1425(02)00023-9. Spectrochim Acta A Mol Biomol Spectrosc. 2002. PMID: 12396058

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

9 results

Search Page

Filters