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DFT and TD-DFT study on quadratic NLO response and optoelectronic activity in novel Y-shaped imidazole-based push-pull chromophores.
J Mol Model. 2021 Apr 26;27(5):136. doi: 10.1007/s00894-021-04764-7.
J Mol Model. 2021.
PMID: 33904015
Prediction of the melting points of fatty acids from computed molecular descriptors: a quantitative structure-property relationship study.
Guendouzi A, Mekelleche SM.
Guendouzi A, et al. Among authors: mekelleche sm.
Chem Phys Lipids. 2012 Jan;165(1):1-6. doi: 10.1016/j.chemphyslip.2011.10.001. Epub 2011 Oct 10.
Chem Phys Lipids. 2012.
PMID: 22008630
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Analysis of the antioxidant activity of 4-(5-chloro-2-hydroxyphenylamino)-4-oxobut-2-enoic acid derivatives using quantum-chemistry descriptors and molecular docking.
Ardjani AT, Mekelleche SM.
Ardjani AT, et al. Among authors: mekelleche sm.
J Mol Model. 2016 Dec;22(12):302. doi: 10.1007/s00894-016-3160-4. Epub 2016 Dec 3.
J Mol Model. 2016.
PMID: 27915407
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