All Stories

  1. Synthesis, Characterization, Anti‐Nematicidal, and Computational Study of Copper(II) Complex Derived From Fluoro‐substituted Schiff Base Ligand
  2. Theoretical Study of the Mutual Degradative Interaction Between Elemental Mercury and Polyhalogenated Biphenyls
  3. Exploring zero-valent iron nanoparticles (nZVI) for Bisphenol A removal: Experimental investigations and Monte-Carlo simulation insights
  4. Zinc (II) complex of (Z)-4-((4-nitrophenyl) amino) pent-3-en-2-one, a potential antimicrobial agent: Synthesis, characterization, electrochemical, antimicrobial, DFT and docking studies
  5. Adsorption and Corrosion Inhibition Potentials of Salicylaldehyde-based Schiff Bases of Semicarbazide and p-Toluidine on Mild Steel in Acidic Medium: Experimental and Computational Studies
  6. Structural fine-tuning of azo disperse dyes for improved performances
  7. Prediction of aqueous solubility by treatment of COSMO-RS data with empirical solubility equations: the roles of global orbital cut-off and COSMO solvent radius
  8. A DFT Study of Disperse Yellow 119 Degradation Mechanism by Hydroxyl Radical Attack
  9. Synergistic effect of opposite polar substituents on selected properties of disperse yellow 119 dye
  10. DMol 3 /COSMO-RS prediction of aqueous solubility and reactivity of selected Azo dyes: Effect of global orbital cut-off and COSMO segment variation