Shehzad RA - 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

DFT study of superhalogen-doped borophene with enhanced nonlinear optical properties.

Ishaq M, Shehzad RA, Yaseen M, Iqbal S, Ayub K, Iqbal J. Ishaq M, et al. Among authors: shehzad ra. J Mol Model. 2021 May 26;27(6):188. doi: 10.1007/s00894-021-04791-4. J Mol Model. 2021. PMID: 34041596

3

Tuning the optoelectronic properties of triphenylamine (TPA) based small molecules by modifying central core for photovoltaic applications.

Zahid S, Rasool A, Shehzad RA, Bhatti IA, Iqbal J. Zahid S, et al. Among authors: shehzad ra. J Mol Model. 2021 Aug 7;27(9):237. doi: 10.1007/s00894-021-04867-1. J Mol Model. 2021. PMID: 34363112

4

Shedding light on the optical and nonlinear optical properties of superalkali-doped borophene.

Hussnain M, Shehzad RA, Muhammad S, Iqbal J, Al-Sehemi AG, Alarfaji SS, Ayub K, Yaseen M. Hussnain M, et al. Among authors: shehzad ra. J Mol Model. 2022 Jan 26;28(2):46. doi: 10.1007/s00894-022-05032-y. J Mol Model. 2022. PMID: 35080664

5

DFT study of superhalogen and superalkali doped graphitic carbon nitride and its non-linear optical properties.

Khan AU, Khera RA, Anjum N, Shehzad RA, Iqbal S, Ayub K, Iqbal J. Khan AU, et al. Among authors: shehzad ra. RSC Adv. 2021 Feb 17;11(14):7779-7789. doi: 10.1039/d0ra08608h. eCollection 2021 Feb 17. RSC Adv. 2021. PMID: 35423340 Free PMC article.

6

Enhancement of NLO properties of supersalt (Al(BH₄)₃)-doped graphene: a DFT study.

Humera, Ahmad Bhatti I, Mohsin M, Amjad N, Shehzad RA, Ayub K, Iqbal J, Taha TA. Humera, et al. Among authors: shehzad ra. J Mol Model. 2022 May 23;28(6):164. doi: 10.1007/s00894-022-05141-8. J Mol Model. 2022. PMID: 35606607

7

Alkaline earth metals (Be, Mg, Ca) doped hexamine complexant with enhanced electronic and nonlinear optical properties.

Gul S, Rasool A, Hameed S, Shehzad RA, Ayub K, Ans M, Iqbal J. Gul S, et al. Among authors: shehzad ra. J Mol Model. 2022 Nov 7;28(12):378. doi: 10.1007/s00894-022-05362-x. J Mol Model. 2022. PMID: 36336761

8

Quantum chemical investigation of Z-shaped heptazethrenes derivatives with detailed structural parameters and singlet fission for photovoltaic applications.

Shehzad RA, Iqbal J, Ali S, Anwar H. Shehzad RA, et al. J Mol Graph Model. 2023 Jun;121:108432. doi: 10.1016/j.jmgm.2023.108432. Epub 2023 Feb 15. J Mol Graph Model. 2023. PMID: 36806125

9

Quantum Chemical Approach of Hexaammine (NH₃)₆ complexant with alkali and alkaline earth metals for their potential use as NLO materials.

Hameed S, Waqas M, Zahid S, Gul S, Shawky AM, Alatawi NS, Shehzad RA, Bhatti IA, Ayub K, Iqbal J, Khera RA. Hameed S, et al. Among authors: shehzad ra. J Mol Graph Model. 2023 Sep;123:108505. doi: 10.1016/j.jmgm.2023.108505. Epub 2023 May 11. J Mol Graph Model. 2023. PMID: 37220700

10

Designing of fluorine-substituted benzodithiophene-based small molecules with efficient photovoltaic parameters.

Iftikhar R, Irshad R, Zahid WA, Akram W, Shehzad RA, Abdelmohsen SAM, Alanazi MM, Shahzad N, Iqbal J. Iftikhar R, et al. Among authors: shehzad ra. J Mol Graph Model. 2023 Dec;125:108588. doi: 10.1016/j.jmgm.2023.108588. Epub 2023 Aug 5. J Mol Graph Model. 2023. PMID: 37557026

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