All Stories

  1. Investigation of Acoramidis-based ionic liquids as potential stabilizers of transthyretin using DFT calculations, molecular docking, and ADMET studies
  2. Synthesis, DFT and TD-DFT study of the nonlinear optical and electronic properties of new quinoxaline acceptors for dye-sensitized solar cells
  3. The new pyridine derivatives as potential tyrosinase inhibitors: DFT calculations, molecular docking, and ADME studies
  4. Exploring nonlinear and linear optical properties of N, N’-bis(salicylidene)-o-phenylenediamine (salophen) through Z-scan technique and TD-DFT computational analysis
  5. A density functional theory study on the adsorption of Mercaptopurine anti-cancer drug and Cu/Zn-doped boron nitride nanocages as a drug delivery
  6. Cuspareine as alkaloid against COVID-19 designed with ionic liquids: DFT and docking molecular approaches
  7. Linear and nonlinear optical properties of 1-(2-methoxyphenyl)-3-(4-chlorophenyl) triazene
  8. Nonlinear optical characteristics of N,N’-bis(salicylidene)-p-phenylenediamine: Z-scan technique and quantum mechanical calculations
  9. A Facile Synthesis of Bioactive Fiveand Six-membered N-heterocyclic Aromatic Compounds Using AlCoFe2O4 as a Green Catalyst
  10. GRAPHEN-PHENYL-NH2 AS NANOCARRIER: A DENSITY FUNCTIONAL THEORY STUDY
  11. 4-(4,5-Diphenyl-1H-imidazole-2-yl)phenol: Synthesis and Estimation of Nonlinear Optical Properties using Z-Scan Technique and Quantum Mechanical Calculations
  12. CoFe2O4 as green and efficient catalyst for synthesis of multisubstituted imidazoles
  13. Simultaneous determination of dopamine and uric acid using a glassy carbon paste electrode modified with copper- para red complex
  14. Synthesis and investigation of nonlinear optical properties of Para Red: Z-scan technique and quantum mechanical calculations
  15. Al and PEG Effect on Structural and Physicochemical Properties of CoFe2O4
  16. Structural, Optical and Photocatalytic Properties of Co-Tio2 Prepared by Sol-Gel Technique
  17. Structural determination of Co/TiO2 nanocomposite: XRD technique and simulation analysis
  18. Synthesis, spectroscopic characterization and DFT calculations of β-O-4 type lignin model compounds
  19. Synthesis of Unsymmetrical Trisannelated Benzenes