Al-Sehemi AG - Search Results

1

Exploring the optoelectronic and third-order nonlinear optical susceptibility of cross-shaped molecules: insights from molecule to material level.

Shehzad RA, Muhammad S, Iqbal J, Al-Sehemi AG, Yaseen M, Aloui Z, Khalid M. Shehzad RA, et al. J Mol Model. 2021 Jan 5;27(1):12. doi: 10.1007/s00894-020-04619-7. J Mol Model. 2021. PMID: 33403444

2

Computational Exploration of Anti-cancer Potential of Flavonoids against Cyclin-Dependent Kinase 8: An In Silico Molecular Docking and Dynamic Approach.

Rathod S, Shinde K, Porlekar J, Choudhari P, Dhavale R, Mahuli D, Tamboli Y, Bhatia M, Haval KP, Al-Sehemi AG, Pannipara M. Rathod S, et al. ACS Omega. 2022 Dec 21;8(1):391-409. doi: 10.1021/acsomega.2c04837. eCollection 2023 Jan 10. ACS Omega. 2022. PMID: 36643495 Free PMC article.

3

Donor-enhanced bridge effect on the electronic properties of triphenylamine based dyes: density functional theory investigations.

Irfan A, Al-Sehemi AG, Asiri AM. Irfan A, et al. J Mol Model. 2012 Aug;18(8):3609-15. doi: 10.1007/s00894-012-1372-9. Epub 2012 Feb 17. J Mol Model. 2012. PMID: 22350297

4

Quantum chemical investigations aimed at modeling highly efficient zinc porphyrin dye sensitized solar cells.

Irfan A, Hina N, Al-Sehemi AG, Asiri AM. Irfan A, et al. J Mol Model. 2012 Sep;18(9):4199-207. doi: 10.1007/s00894-012-1421-4. Epub 2012 May 4. J Mol Model. 2012. PMID: 22552753

5

Quantum chemical study in the direction to design efficient donor-bridge-acceptor triphenylamine sensitizers with improved electron injection.

Irfan A, Al-Sehemi AG. Irfan A, et al. J Mol Model. 2012 Nov;18(11):4893-900. doi: 10.1007/s00894-012-1488-y. Epub 2012 Jun 21. J Mol Model. 2012. PMID: 22718326

6

How does hybrid bridging core modification enhance the nonlinear optical properties in donor-π-acceptor configuration? A case study of dinitrophenol derivatives.

Muhammad S, Irfan A, Shkir M, Chaudhry AR, Kalam A, AlFaify S, Al-Sehemi AG, Al-Salami AE, Yahia IS, Xu HL, Su ZM. Muhammad S, et al. J Comput Chem. 2015 Jan 15;36(2):118-28. doi: 10.1002/jcc.23777. Epub 2014 Nov 10. J Comput Chem. 2015. PMID: 25382405

7

How does the increment of hetero-cyclic conjugated moieties affect electro-optical and charge transport properties of novel naphtha-difuran derivatives? A computational approach.

Chaudhry AR, Ahmed R, Irfan A, Muhammad S, Shaari A, Al-Sehemi AG. Chaudhry AR, et al. J Mol Model. 2014 Dec;20(12):2547. doi: 10.1007/s00894-014-2547-3. Epub 2014 Dec 12. J Mol Model. 2014. PMID: 25503703

8

Diradical character and nonlinear optical properties of buckyferrocenes: focusing on the use of suitably modified fullerene fragments.

Muhammad S, Ito S, Nakano M, Kishi R, Yoneda K, Kitagawa Y, Shkir M, Irfan A, Chaudhry AR, AlFaify S, Kalam A, Al-Sehemi AG. Muhammad S, et al. Phys Chem Chem Phys. 2015 Feb 28;17(8):5805-16. doi: 10.1039/c4cp05175k. Phys Chem Chem Phys. 2015. PMID: 25628262

9

Effect of donor strength of extended alkyl auxiliary groups on optoelectronic and charge transport properties of novel naphtha[2,1-b:6,5-b']difuran derivatives: simple yet effective strategy.

Chaudhry AR, Ahmed R, Irfan A, Shaari A, Isa AR, Muhammad S, Al-Sehemi AG. Chaudhry AR, et al. J Mol Model. 2015 Aug;21(8):199. doi: 10.1007/s00894-015-2743-9. Epub 2015 Jul 16. J Mol Model. 2015. PMID: 26177706

10

The impact of position and number of methoxy group(s) to tune the nonlinear optical properties of chalcone derivatives: a dual substitution strategy.

Muhammad S, Al-Sehemi AG, Irfan A, Chaudhry AR, Gharni H, AlFaify S, Shkir M, Asiri AM. Muhammad S, et al. J Mol Model. 2016 Apr;22(4):73. doi: 10.1007/s00894-016-2946-8. Epub 2016 Mar 12. J Mol Model. 2016. PMID: 26969679

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