Al-Sehemi AG - Search Results

1

Exploring the impact of central core modifications among several push-pull configurations to enhance nonlinear optical response.

Saeed A, Muhammad S, Rehman SU, Bibi S, Al-Sehemi AG, Khalid M. Saeed A, et al. J Mol Graph Model. 2020 Nov;100:107665. doi: 10.1016/j.jmgm.2020.107665. Epub 2020 Jul 7. J Mol Graph Model. 2020. PMID: 32682308

2

Neodymium-Doped Novel Barium Tungstate Nanospindles for the Enhanced Oxygen Evolution Reaction.

Swathi S, Priyanga M, Rathinam Y, Ganesan R, Al-Sehemi AG, Velauthapillai D. Swathi S, et al. ACS Omega. 2023 Jan 17;8(4):3745-3754. doi: 10.1021/acsomega.2c05156. eCollection 2023 Jan 31. ACS Omega. 2023. PMID: 36742998 Free PMC article.

3

Modeling of multifunctional donor-bridge-acceptor 4,6-di(thiophen-2-yl)pyrimidine derivatives: a first principles study.

Irfan A, Al-Sehemi AG, Al-Assiri MS. Irfan A, et al. J Mol Graph Model. 2013 Jul;44:168-76. doi: 10.1016/j.jmgm.2013.06.003. Epub 2013 Jun 19. J Mol Graph Model. 2013. PMID: 23835610

4

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

5

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

6

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

7

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

8

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

9

Tuning the push-pull configuration for efficient second-order nonlinear optical properties in some chalcone derivatives.

Muhammad S, Al-Sehemi AG, Irfan A, Chaudhry AR. Muhammad S, et al. J Mol Graph Model. 2016 Jul;68:95-105. doi: 10.1016/j.jmgm.2016.06.012. Epub 2016 Jun 21. J Mol Graph Model. 2016. PMID: 27388121

10

Optoelectronic properties of naphtho[2, 1-b:6, 5-b']difuran derivatives for photovoltaic application: a computational study.

Chaudhry AR, Ahmed R, Irfan A, Mohamad M, Muhammad S, Ul Haq B, Al-Sehemi AG, Al-Douri Y. Chaudhry AR, et al. J Mol Model. 2016 Oct;22(10):248. doi: 10.1007/s00894-016-3121-y. Epub 2016 Sep 29. J Mol Model. 2016. PMID: 27683259

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