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Al-Otaibi, Jamelah S. and Mary, Y. Sheena and Mondal, Asmita and Acharjee, Nivedita and Roxy, M.S. and Yathirajan, H. S. and Gamberini, Maria Cristina (2024) Understanding Trimipraminium Maleate (TPM) through Spectroscopic, Hirshfeld surface and reactivity analysis: Experimental, DFT and MD studies in different solvents at different temperatures. Journal of the Indian Chemical Society, 101 (10). p. 101235. ISSN 2667-2847
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
