Keywords = DFT calculations
Number of Articles: 4
Investigation of Antibacterial and Cytotoxicity Effect of Green Synthesized TiO2 Nanocomposites, an Experimental and Theoretical Study

Volume 41, Issue 7, July 2022, Pages 2189-2201

10.30492/ijcce.2021.530993.4758

Payam Khazaeli; Mehdi Ranjbar; Meysam Ahmadi Zeidabadi; Davood Kalantar-Neyestanaki; Razieh Razavi; Mahsa Ziasistani; Mahnaz Amiri

A Density Functional Theory Study on Possible Sensing of Boron Nitride Nanosheet and Its Doped Derivatives over the Amantadine Drug

Volume 41, Issue 7, July 2022, Pages 2213-2221

10.30492/ijcce.2022.561979.5587

Ebrahim Saedi Khosroshahi; Ladan Edjlali; Farnaz Behmagham; Mirzaagha Babazadeh; Elnaz Ghasemi

A Density Functional Theory Study of Adsorption Ethionamide on the Surface of the Pristine, Si and Ga and Al-Doped Graphene

Volume 40, Issue 6, November and December 2021, Pages 1720-1736

10.30492/ijcce.2022.532176.4794

Esmail Vessally; Mahla Musavi; Mohammad Reza Poor Heravi

Iranian Journal of Chemistry and Chemical Engineering

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