Name Adnan Ali Khan Affiliation پژوهشگر در خارج از ایران Degree _ Website Email — JournalPaper Presentation FinishedProject Book Thesis Speech Innovation ResearchExcellence Sabbatical TheorizingChair GrantAttraction WorkShop Membership JournalPublication ExecutiveActivity TitleJournal 1 Silicon-doped boron nitride graphyne-like sheet for catalytic N2O reduction: A DFT study JOURNAL OF MOLECULAR GRAPHICS & MODELLING 2 Alkali metal decorated C60 fullerenes as promising materials for delivery of anticancer 5-fluorouracil drug: A DFT approach RSC Advances 3 Co Anchored B36 Cluster as a Novel Single Atom Catalyst for Removing Toxic CO Molecules: A Mechanistic First- Principles Study CHEMISTRYSELECT 4 Al-decorated C24N24 fullerene: A robust single-atom catalyst for CO oxidation POLYHEDRON 5 Synergic effects between boron and nitrogen atoms in BN-codoped C59-nBNn fullerenes (n=1-3) for metal-free reduction of greenhouse N2O gas RSC Advances 6 A computational study on the characteristics of open-shell H-bonding interaction between carbamic acid (NH 2 COOH) and HO 2 , HOS or HSO radicals JOURNAL OF MOLECULAR MODELING