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A DFT study on the catalytic ability of aluminum doped graphene for the initial steps of the conversion of methanol to gasoline |
March |
2018 |
|
Synthesis of highly uniform sulfur-doped carbon sphere using CVD method and its application for cationic dye removal in comparison with undoped product |
December |
2018 |
|
Polystyrene bis[N-(2-pyridyl) sulfonamide] palladium(II): Synthesis, characterization as a catalyst for coupling reactions |
May |
2018 |
|
Adsorption of CO2 on sodium iodide (NaI) n (n≤ 10) clusters: A density functional theory investigation |
December |
2018 |
|
Synthesis of phosphorus doped carbon nanotubes using chemical vapor deposition |
April |
2018 |
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Synthesis of multi-walled phosphorus and sulfur co-doped CNTs |
October |
2018 |
|
Study of binding energies using DFT methods, vibrational frequencies and solvent effects in the interaction of silver ions with uracil tautomers |
February |
2017 |
|
DFT, NBO and molecular docking studies of the adsorption of fluoxetine into and on the surface of simple and sulfur-doped carbon nanotubes |
October |
2017 |
|
Synthesis of 14H‑dibenzo xanthene derivatives using choline chloride/tin(II) chloride deep eutectic solvent and Fe3O4/ƛ‑carrageenan/Zn(II) |
January |
2017 |
|
Zinc cation supported on carrageenan magnetic nanoparticles: A novel, green and efficient catalytic system for one‐pot three component synthesis of quinoline derivatives |
August |
2017 |
|
Theoretical investigation on the performance of simple and doped graphenes for the surface adsorption of various ions and water desalination |
December |
2017 |
|
Preparation of choline chloride/urea deep eutectic solvent-modified magnetic nanoparticles for synthesis of various 2-amino-4H-pyran derivatives in water solution |
November |
2017 |
|
Molecular dynamics study of biodegradation of azo dyes via their interactions with AzrC azoreductase |
Winter |
2016 |
|
A molecular dynamics investigation on the interaction properties of AzrC and its cofactor |
December |
2016 |
|
A simple synthesis of sulfur-doped graphene using sulfur powder by chemical vapor deposition |
March |
2016 |
|
Study of noncovalent interactions of end-caped sulfur-doped carbon nanotubes using DFT, QTAIM, NBO and NCI calculations |
March |
2016 |
|
The Substituent Effect on the Energy Profiles of Inter and Intramolecular Proton Transfers between Phosphine Oxide‐Phosphinous Acid Tautomers |
July |
2016 |
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One-pot synthesis of quinoline derivatives using choline chloride/tin (II) chloride deep eutectic solvent as a green catalyst |
May |
2016 |
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The synthesis of coumarin derivatives using choline chloride/zinc chloride as a deep eutectic solvent |
January |
2016 |
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A sulfur doped carbon nanotube as a potential catalyst for the oxygen reduction reaction |
May |
2016 |
