171 results on '"Shakourian ‐ Fard, Mehdi"'
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2. Experimental and theoretical study of the physicochemical properties of the novel imidazole-based eutectic solvent
3. The interaction of deep eutectic solvents with pristine carbon nanotubes and their associated defects: A density functional theory study
4. Effect of mono-vacant defects on the adsorption properties of deep eutectic solvents onto hexagonal boron-nitride nanoflakes
5. DFT study of interaction of Palladium Pdn (n = 1–6) nanoparticles with deep eutectic solvents
6. Density functional theory investigation into the interaction of deep eutectic solvents with amino acids
7. Chemical structure-based models for prediction of density of ammonium and phosphonium-based deep eutectic solvents
8. Geminal Dicationic Ionic Liquids (GDILs) and Their Adsorption on Graphene Nanoflakes
9. Refractive index prediction of deep eutectic solvents by molecular approaches
10. Interaction of Cun, Agn and Aun (n = 1–4) nanoparticles with ChCl:Urea deep eutectic solvent
11. A DFT study of the adsorption of deep eutectic solvents onto graphene and defective graphene nanoflakes
12. Quantitative structure-property relationship for melting and freezing points of deep eutectic solvents
13. Unraveling the effect of nitrogen doping on graphene nanoflakes and the adsorption properties of ionic liquids: A DFT study
14. Adsorption mechanism of toxic heavy metal ions on oxygen-passivated nanopores in graphene nanoflakes
15. The effect of ionic liquid adsorption on the electronic and optical properties of fluorographene nanosheets
16. Solid-phase extraction of gallic acid and ascorbic acid in fruits using polymerized deep eutectic solvent-modified substrate
17. Effect of mono-vacant defects on the opto-electronic properties of ionic liquid functionalized hexagonal boron-nitride nanosheets
18. Structural and electronic properties of adsorbed nucleobases on Si-doped hexagonal boron nitride nanoflake: a computational study
19. Exploring the Effects of Dopamine and DMMP Additives on Improving the Cycle Boosting and Nonflammability of Electrolytes in Full-Cell Lithium-Ion Batteries (18650)
20. Imidazole–Monoethanolamine-Based Deep Eutectic Solvent for Carbon Dioxide Capture: A Combined Experimental and Molecular Dynamics Investigation
21. SPE of gallic acid and ascorbic acid in fruits using polymerized deep eutectic solvent-modified substrate.
22. Selective aqueous oxidation of alcohols catalyzed by copper (II) phthalocyanine nanoparticles
23. Design and synthesis of new family of ionic liquids based on 2-iminium-1,3-dithiolanes: A combined theoretical and experimental effort
24. Effect of Mono-Vacant Defects on the Adsorption Properties of Deep Eutectic Solvents onto Hexagonal Boron-Nitride Nanoflakes
25. Computational investigation of thermochemical properties of non-natural C-nucloebases: different hydrogen-bonding preferences for non-natural Watson–Crick base pairs
26. Influence of the water molecules (n = 1–6) on the interaction between Li+, Na+, K+ cations and indole molecule as tryptophan amino acid residue
27. Molecular structure and character of bonding of mono and divalent metal cations (Li+, Na+, K+, Mg2+, Ca2+, Zn2+, and Cu+) with guanosine: AIM and NBO analysis
28. Theoretical investigation on the structural and electronic properties of complexes formed by thymine and 2′-deoxythymidine with different anions
29. Tailoring of graphene quantum dots for toxic heavy metals detection
30. The effect of sulfur and nitrogen/sulfur co-doping in graphene surface on the adsorption of toxic heavy metals (Cd, Hg, Pb)
31. Calcium-Ion Batteries: Identifying Ideal Electrolytes for Next-Generation Energy Storage Using Computational Analysis
32. Immobilizing magnetic glutaraldehyde cross-linked chitosan on graphene oxide and nitrogen-doped graphene oxide as well-dispersible adsorbents for chromate removal from aqueous solutions
33. Silver nanoparticles immobilized onto poly(4‐vinylpyridine)‐functionalized magnetic nanoparticles: A robust magnetically recyclable catalyst for oxidant‐free alcohol dehydrogenation
34. Cover Feature: Defect-Based Modulation of Optoelectronic Properties for Biofunctionalized Hexagonal Boron Nitride Nanosheets (ChemPhysChem 17/2017)
35. Defect‐Based Modulation of Optoelectronic Properties for Biofunctionalized Hexagonal Boron Nitride Nanosheets
36. A highly reactive and magnetic recyclable catalyst based on silver nanoparticles supported on ferrite for N -monoalkylation of amines with alcohols
37. The effect of defect types on the electronic and optical properties of graphene nanoflakes physisorbed by ionic liquids
38. Selective oxidation of sulfides to sulfoxides by a molybdate-based catalyst using 30% hydrogen peroxide
39. Surface Charge‐Transfer Doping of Graphene Nanoflakes Containing Double‐Vacancy (5‐8‐5) and Stone–Wales (55‐77) Defects through Molecular Adsorption
40. Evaluating the Free Energies of Solvation and Electronic Structures of Lithium‐Ion Battery Electrolytes
41. Back Cover: Electronic Structure Insights into the Solvation of Magnesium Ions with Cyclic and Acyclic Carbonates (ChemPhysChem 17/2015)
42. Electronic Structure Insights into the Solvation of Magnesium Ions with Cyclic and Acyclic Carbonates
43. Silver nanoparticles immobilized onto poly(4‐vinylpyridine)‐functionalized magnetic nanoparticles: A robust magnetically recyclable catalyst for oxidant‐free alcohol dehydrogenation.
44. Design of silica supported task-specific ionic liquid catalyst system for oxidation of cyclohexene to adipic acid with 30% H2O2
45. Trends in Na-Ion Solvation with Alkyl-Carbonate Electrolytes for Sodium-Ion Batteries: Insights from First-Principles Calculations
46. ChemInform Abstract: A Green Procedure for Direct Oxidation of Organic Halides to Aldehydes and Ketones Catalyzed by a Molybdate-Based Catalyst.
47. Meta-Hybrid Density Functional Theory Study of Adsorption of Imidazolium- and Ammonium-Based Ionic Liquids on Graphene Sheet
48. Silver nanoparticles supported on silica-coated ferrite as magnetic and reusable catalysts for oxidant-free alcohol dehydrogenation
49. A green procedure for direct oxidation of organic halides to aldehydes and ketones catalyzed by a molybdate-based catalyst
50. Trends in Physisorption of Ionic Liquids on Boron-Nitride Sheets
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