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S.Al-Otaibi, Jamelah and Mary, Y. Sheena and Mary, Y. Shyma and Acharjee, Nivedita and Deepthi, S. and Yathirajan, H. S. (2023) An investigation on spectroscopic, wavefunction dependent reactivity, docking and anti-Covid-19 ability of flupentixol dihydrochloride: DFT and MD simulations at different temperatures. Journal of Molecular Liquids, 392. p. 123177. ISSN 1873-3166
Al-Otaibi, Jamelah S. and Sheena Maryand, Y. and Acharjee, Nivedita and Balachandar, S. and Yathirajan, H. S. (2022) Insights into solvation effects, spectroscopic, Hirshfeld surface Analysis, reactivity analysis and anti-Covid-19 ability of doxylamine succinate: Experimental, DFT, MD and docking simulations. Journal of Molecular Liquids, 361. p. 119609. ISSN 0167-7322
