Ayub K - Search Results

1

Theoretical Study of Dodecafluorophenylene-Based Superalkalides with Significantly High NLO Response.

Sajjad A, Sarfaraz S, Ahsan A, Bayach I, Hamid MHSA, Sheikh NS, Ayub K. Sajjad A, et al. Among authors: ayub k. ACS Omega. 2023 Nov 21;8(48):45589-45598. doi: 10.1021/acsomega.3c05791. eCollection 2023 Dec 5. ACS Omega. 2023. PMID: 38075839 Free PMC article.

2

Towards thermally stable cyclophanediene-dihydropyrene photoswitches.

Khan N, Sheikh NS, Khan AF, Ludwig R, Mahmood T, Rehman W, Al-Faiyz YS, Ayub K. Khan N, et al. Among authors: ayub k. J Mol Model. 2015 Jun;21(6):148. doi: 10.1007/s00894-015-2695-0. Epub 2015 May 20. J Mol Model. 2015. PMID: 25986774

3

Photo-tunable linear and nonlinear optical response of cyclophanediene-dihydropyrene photoswitches.

Saima B, Khan N, Al-Faiyz YSS, Ludwig R, Rehman W, Habib-Ur-Rehman M, Sheikh NS, Ayub K. Saima B, et al. Among authors: ayub k. J Mol Graph Model. 2019 May;88:261-272. doi: 10.1016/j.jmgm.2019.01.019. Epub 2019 Feb 4. J Mol Graph Model. 2019. PMID: 30780115

4

Adsorption of Phosgene Gas on Pristine and Copper-Decorated B₁₂N₁₂ Nanocages: A Comparative DFT Study.

Hussain S, Hussain R, Mehboob MY, Chatha SAS, Hussain AI, Umar A, Khan MU, Ahmed M, Adnan M, Ayub K. Hussain S, et al. Among authors: ayub k. ACS Omega. 2020 Mar 26;5(13):7641-7650. doi: 10.1021/acsomega.0c00507. eCollection 2020 Apr 7. ACS Omega. 2020. PMID: 32280908 Free PMC article.

5

Designing Novel Zn-Decorated Inorganic B₁₂P₁₂ Nanoclusters with Promising Electronic Properties: A Step Forward toward Efficient CO₂ Sensing Materials.

Hussain S, Shahid Chatha SA, Hussain AI, Hussain R, Mehboob MY, Gulzar T, Mansha A, Shahzad N, Ayub K. Hussain S, et al. Among authors: ayub k. ACS Omega. 2020 Jun 19;5(25):15547-15556. doi: 10.1021/acsomega.0c01686. eCollection 2020 Jun 30. ACS Omega. 2020. PMID: 32637830 Free PMC article.

6

In Silico Designing of Mg₁₂O₁₂ Nanoclusters with a Late Transition Metal for NO₂ Adsorption: An Efficient Approach toward the Development of NO₂ Sensing Materials.

Hussain S, Chatha SAS, Hussain AI, Hussain R, Yasir Mehboob M, Mansha A, Shahzad N, Ayub K. Hussain S, et al. Among authors: ayub k. ACS Omega. 2021 May 21;6(22):14191-14199. doi: 10.1021/acsomega.1c00850. eCollection 2021 Jun 8. ACS Omega. 2021. PMID: 34124442 Free PMC article.

7

A Theoretical Framework of Zinc-Decorated Inorganic Mg₁₂O₁₂ Nanoclusters for Efficient COCl₂ Adsorption: A Step Forward toward the Development of COCl₂ Sensing Materials.

Hussain S, Chatha SAS, Hussain AI, Hussain R, Yasir Mehboob M, Mansha A, Shahzad N, Ayub K. Hussain S, et al. Among authors: ayub k. ACS Omega. 2021 Jul 20;6(30):19435-19444. doi: 10.1021/acsomega.1c01473. eCollection 2021 Aug 3. ACS Omega. 2021. PMID: 34368531 Free PMC article.

8

Chemically Modified Quinoidal Oligothiophenes for Enhanced Linear and Third-Order Nonlinear Optical Properties.

Bibi A, Muhammad S, UrRehman S, Bibi S, Bashir S, Ayub K, Adnan M, Khalid M. Bibi A, et al. Among authors: ayub k. ACS Omega. 2021 Sep 13;6(38):24602-24613. doi: 10.1021/acsomega.1c03218. eCollection 2021 Sep 28. ACS Omega. 2021. PMID: 34604642 Free PMC article.

9

Demonstrating the Potential of Alkali Metal-Doped Cyclic C₆O₆Li₆ Organometallics as Electrides and High-Performance NLO Materials.

Wajid S, Kosar N, Ullah F, Gilani MA, Ayub K, Muhammad S, Mahmood T. Wajid S, et al. Among authors: ayub k. ACS Omega. 2021 Oct 29;6(44):29852-29861. doi: 10.1021/acsomega.1c04349. eCollection 2021 Nov 9. ACS Omega. 2021. PMID: 34778658 Free PMC article.

10

Bithieno Thiophene-Based Small Molecules for Application as Donor Materials for Organic Solar Cells and Hole Transport Materials for Perovskite Solar Cells.

Rasool A, Zahid S, Ans M, Muhammad S, Ayub K, Iqbal J. Rasool A, et al. Among authors: ayub k. ACS Omega. 2021 Dec 30;7(1):844-862. doi: 10.1021/acsomega.1c05504. eCollection 2022 Jan 11. ACS Omega. 2021. PMID: 35036751 Free PMC article.

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