Enhanced electronic and nonlinear optical responses of C24N24 cavernous nitride fullerene by decoration with first row transition metals; A computational investigation von Shakerzadeh, Ehsan, Mashak Shabavi, Zahra, Anota, Erneto Chigo

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Quantum chemical insights into the adsorption performance of pristine and M-encapsulated (M = Li, Na, K) B12N12 nanocages toward ciprofloxacin, levofloxacin, moxifloxacin, delaflox... von Shabavi, Zahra Mashak, Shakerzadeh, Ehsan, Yadav, Tarun, Anota, Ernesto Chigo

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Computational analysis of bare and alkali metal-encapsulated Al12N12 nanocages for enhanced removal of fluoroquinolone antibiotics from wastewater von Mashak Shabavi, Zahra, Shakerzadeh, Ehsan, Chigo Anota, Ernesto

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A DFT study on the potential application of metal-encapsulated B12N12 nanocage for efficient removal of gemifloxacin in aqueous medium von Shabavi, Zahra Mashak, Shakerzadeh, Ehsan, Yadav, Tarun, Tahmasebi, Elham, Kaviani, Sadegh, Anota, Ernesto Chigo

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Enhanced electronic and nonlinear optical responses of C 24 N 24 cavernous nitride fullerene by decoration with first row transition metals; A computational investigation von Shakerzadeh, Ehsan, Mashak Shabavi, Zahra, Anota, Erneto Chigo

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