Kosar N - Search Results

1

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. 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

2

Sensor applications of polypyrrole for oxynitrogen analytes: a DFT study.

Wasim F, Kosar N, Mahmood T, Ayub K. Wasim F, et al. Among authors: kosar n. J Mol Model. 2018 Oct 5;24(11):308. doi: 10.1007/s00894-018-3843-0. J Mol Model. 2018. PMID: 30291548

3

Benchmark DFT studies on C-CN homolytic cleavage and screening the substitution effect on bond dissociation energy.

Kosar N, Ayub K, Gilani MA, Mahmood T. Kosar N, et al. J Mol Model. 2019 Jan 28;25(2):47. doi: 10.1007/s00894-019-3930-x. J Mol Model. 2019. PMID: 30690660

4

Theoretical investigation on radical anion promoted electrocyclization in photochromes.

Bibi N, Kosar N, Ayub K, Mahmood T. Bibi N, et al. Among authors: kosar n. J Mol Graph Model. 2020 Jun;97:107550. doi: 10.1016/j.jmgm.2020.107550. Epub 2020 Jan 27. J Mol Graph Model. 2020. PMID: 32023507

5

Theoretical study on novel superalkali doped graphdiyne complexes: Unique approach for the enhancement of electronic and nonlinear optical response.

Kosar N, Shehzadi K, Ayub K, Mahmood T. Kosar N, et al. J Mol Graph Model. 2020 Jun;97:107573. doi: 10.1016/j.jmgm.2020.107573. Epub 2020 Feb 21. J Mol Graph Model. 2020. PMID: 32114080

6

Selective Arylation of 2-Bromo-4-chlorophenyl-2-bromobutanoate via a Pd-Catalyzed Suzuki Cross-Coupling Reaction and Its Electronic and Non-Linear Optical (NLO) Properties via DFT Studies.

Nazeer U, Rasool N, Mujahid A, Mansha A, Zubair M, Kosar N, Mahmood T, Raza Shah A, Shah SAA, Zakaria ZA, Akhtar MN. Nazeer U, et al. Among authors: kosar n. Molecules. 2020 Jul 31;25(15):3521. doi: 10.3390/molecules25153521. Molecules. 2020. PMID: 32752125 Free PMC article.

7

Surface functionalization of twisted graphene C₃₂H₁₅ and C₁₀₄H₅₂ derivatives with alkalis and superalkalis for NLO response; a DFT study.

Kosar N, Ayub K, Mahmood T. Kosar N, et al. J Mol Graph Model. 2021 Jan;102:107794. doi: 10.1016/j.jmgm.2020.107794. Epub 2020 Nov 6. J Mol Graph Model. 2021. PMID: 33212383

8

DFT studies of single and multiple alkali metals doped C₂₄ fullerene for electronics and nonlinear optical applications.

Kosar N, Tahir H, Ayub K, Mahmood T. Kosar N, et al. J Mol Graph Model. 2021 Jun;105:107867. doi: 10.1016/j.jmgm.2021.107867. Epub 2021 Mar 4. J Mol Graph Model. 2021. PMID: 33725640

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: kosar n. 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

Quantum chemical hydrogenolysis strategy for elimination of heteroatoms in biomass homologous organic compounds based on oxolane and thiolane.

Koudjina S, Kanhounnon WG, Kpotin GA, Thomas AS, Sawadogo R, Semmeq A, Kosar N, Badawi M, Mahmood T, Atohoun GYS. Koudjina S, et al. Among authors: kosar n. J Mol Graph Model. 2022 Nov;116:108268. doi: 10.1016/j.jmgm.2022.108268. Epub 2022 Jul 14. J Mol Graph Model. 2022. PMID: 35872464

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