Mahmood T - Search Results

1

Optimization of nonlinear properties of C₆O₆Li₆-doped alkalides via group I/III doping for unprecedented charge transfer and advancements in optoelectronics.

Kosar N, Ayub K, Al-Saadi AA, Imran M, Mahmood T. Kosar N, et al. Among authors: mahmood t. Phys Chem Chem Phys. 2025 Jan 3. doi: 10.1039/d4cp03890h. Online ahead of print. Phys Chem Chem Phys. 2025. PMID: 39751906

2

Photoswitchable nonlinear optical properties of azobenzene-based supramolecular complexes: insights from density functional theory.

Nisar A, Tabassum S, Ayub K, Mahmood T, AlMohamadi H, Khan AL, Yasin M, Nawaz R, Gilani MA. Nisar A, et al. Among authors: mahmood t. Phys Chem Chem Phys. 2023 Aug 2;25(30):20430-20450. doi: 10.1039/d3cp01498c. Phys Chem Chem Phys. 2023. PMID: 37466347

3

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: mahmood t. 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.

4

Shedding light on static and dynamic hyperpolarizabilities of thia[7&8]circulenes, toward their NLO applications.

Kosar N, Ayub K, Gilani MA, Arshad M, Mahmood T. Kosar N, et al. Among authors: mahmood t. J Mol Model. 2022 Nov 21;28(12):395. doi: 10.1007/s00894-022-05386-3. J Mol Model. 2022. PMID: 36414764

5

Giant NLO response and deep ultraviolet transparency of dual (alkali/alkaline earth) metals doped C₆O₆Li₆ electrides.

Kosar N, Wajid S, Ayub K, Gilani MA, Binti Zainal Arfan NH, Sheikh Abdul Hamid MH, Imran M, Sheikh NS, Mahmood T. Kosar N, et al. Among authors: mahmood t. Heliyon. 2023 Jul 13;9(8):e18264. doi: 10.1016/j.heliyon.2023.e18264. eCollection 2023 Aug. Heliyon. 2023. PMID: 37533989 Free PMC article.

6

Enhanced nonlinear optical response of alkalides based on stacked Janus all-cis-1,2,3,4,5,6-hexafluorocyclohexane.

Sohaib M, Sajid H, Sarfaraz S, Hamid MHSA, Gilani MA, Ans M, Mahmood T, Muhammad S, Alkhalifah MA, Sheikh NS, Ayub K. Sohaib M, et al. Among authors: mahmood t. Heliyon. 2023 Aug 19;9(9):e19325. doi: 10.1016/j.heliyon.2023.e19325. eCollection 2023 Sep. Heliyon. 2023. PMID: 37662734 Free PMC article.

7

Role of Delocalization, Asymmetric Distribution of π-Electrons and Elongated Conjugation System for Enhancement of NLO Response of Open Form of Spiropyran-Based Thermochromes.

Kosar N, Kanwal S, Hamid MHSA, Ayub K, Gilani MA, Imran M, Arshad M, Alkhalifah MA, Sheikh NS, Mahmood T. Kosar N, et al. Among authors: mahmood t. Molecules. 2023 Aug 28;28(17):6283. doi: 10.3390/molecules28176283. Molecules. 2023. PMID: 37687112 Free PMC article.

8

Frequency-dependent nonlinear optical response and refractive index investigation of lactone-derived thermochromic compounds.

Kosar N, Kanwal S, Sajid H, Ayub K, Gilani MA, Elfaki Ibrahim K, Gatasheh MK, Mary YS, Mahmood T. Kosar N, et al. Among authors: mahmood t. J Mol Graph Model. 2024 Jan;126:108646. doi: 10.1016/j.jmgm.2023.108646. Epub 2023 Oct 2. J Mol Graph Model. 2024. PMID: 37816302

9

Decorating Mg₁₂O₁₂ Nanocage with Late First-Row Transition Metals To Act as Single-Atom Catalysts for the Hydrogen Evolution Reaction.

Allangawi A, Kosar N, Ayub K, Gilani MA, Zainal Arfan NHB, Hamid MHSA, Imran M, Sheikh NS, Mahmood T. Allangawi A, et al. Among authors: mahmood t. ACS Omega. 2023 Oct 8;8(41):37820-37829. doi: 10.1021/acsomega.3c01794. eCollection 2023 Oct 17. ACS Omega. 2023. PMID: 37867697 Free PMC article.

10

Exploring the Sensing Potential of g-C₃N₄ versus Li/g-C₃N₄ Nanoflakes toward Hazardous Organic Volatiles: A DFT Simulation Study.

Asif M, Kosar N, Sajid H, Qureshi S, Gilani MA, Ayub K, Arshad M, Imran M, Hamid MHSA, Bayach I, Sheikh NS, Mahmood T. Asif M, et al. Among authors: mahmood t. ACS Omega. 2024 Jan 12;9(3):3541-3553. doi: 10.1021/acsomega.3c07350. eCollection 2024 Jan 23. ACS Omega. 2024. PMID: 38284053 Free PMC article.

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