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Toward efficient enantioseparation of ibuprofen isomers using chiral BNNTs: Dispersion corrected DFT calculations and DFTB molecular dynamic simulations

Melahatsadat RasoolidaneshDepartment of Nanochemistry, Faculty of Pharmaceutical Chemistry, Tehran Medical Sciences, Islamic Azad University, Tehran, IranMohammad AstarakiDepartment of Chemical Engineering, Najafabad Branch, Islamic Azad University, Najafabad, IranMina MostafaviDepartment of Nanochemistry, Faculty of Pharmaceutical Chemistry, Tehran Medical Sciences, Islamic Azad University, Tehran, IranMahyar RezvaniDepartment of Nanochemistry, Faculty of Pharmaceutical Chemistry, Tehran Medical Sciences, Islamic Azad University, Tehran, IranMasoud Darvish GanjiDepartment of Chemistry, Qaemshahr Branch, Islamic Azad University, Qaemshahr, Iran
2021en
ABI

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