| 1 |
Silicon-doped boron nitride graphyne-like sheet for catalytic N2O reduction: A DFT study
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JOURNAL OF MOLECULAR GRAPHICS & MODELLING
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| 2 |
Alkali metal decorated C60 fullerenes as promising materials for delivery of anticancer 5-fluorouracil drug: A DFT approach
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RSC Advances
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| 3 |
Co Anchored B36 Cluster as a Novel Single Atom Catalyst for Removing Toxic CO Molecules: A Mechanistic First- Principles Study
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CHEMISTRYSELECT
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| 4 |
Al-decorated C24N24 fullerene: A robust single-atom catalyst for CO oxidation
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POLYHEDRON
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| 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
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RSC Advances
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| 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
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JOURNAL OF MOLECULAR MODELING
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