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Exploring Pyrimidine-Based azo Dyes: Vibrational spectroscopic Assignments, TD-DFT Investigation, chemical Reactivity, HOMO-LUMO, ELF, LOL and NCI-RDG analysis.
Roufieda Guerroudj A, Ullah Mughal E, Naeem N, Sadiq A, Al-Fahemi JH, Asghar BH, Boukabcha N, Chouaih A, Ahmed SA. Roufieda Guerroudj A, et al. Among authors: boukabcha n. Spectrochim Acta A Mol Biomol Spectrosc. 2024 May 15;313:124093. doi: 10.1016/j.saa.2024.124093. Epub 2024 Feb 28. Spectrochim Acta A Mol Biomol Spectrosc. 2024. PMID: 38428162
Conformation and vibrational spectroscopic analysis of 2,6-bis(4-fluorophenyl)-3,3-dimethylpiperidin-4-one (BFDP) by DFT method: A potent anti-Parkinson's, anti-lung cancer, and anti-human infectious agent.
Arumugam T, Ramalingam A, Guerroudj AR, Sambandam S, Boukabcha N, Chouaih A. Arumugam T, et al. Among authors: boukabcha n. Heliyon. 2023 Oct 29;9(11):e21315. doi: 10.1016/j.heliyon.2023.e21315. eCollection 2023 Nov. Heliyon. 2023. PMID: 37954314 Free PMC article.
Investigation of photophysical and electronic properties of aurone derivatives: Insights from spectroscopic techniques and density functional theory calculations.
Ullah Mughal E, Roufieda Guerroudj A, Bozkurt E, Naeem N, Sadiq A, Al-Fahemi JH, Jassas RS, Hussein EM, Boukabcha N, Chouaih A, Ahmed SA. Ullah Mughal E, et al. Among authors: boukabcha n. Spectrochim Acta A Mol Biomol Spectrosc. 2023 Dec 5;302:123130. doi: 10.1016/j.saa.2023.123130. Epub 2023 Jul 11. Spectrochim Acta A Mol Biomol Spectrosc. 2023. PMID: 37517274