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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.
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.
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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
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Synthesis, X-Ray Structure Determination and Related Physical Properties of Thiazolidinone Derivative by DFT Quantum Chemical Method.
Megrouss Y, Baara FT, Boukabcha N, Chouaih A, Hatzidimitriou A, Djafri A, Hamzaoui F.
Megrouss Y, et al. Among authors: boukabcha n.
Acta Chim Slov. 2019 Jun;66(2):490-500.
Acta Chim Slov. 2019.
PMID: 33855506
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