All Stories

  1. Density Functional Theory Molecular Modelling, DNA interactions, Antioxidant, Antimicrobial, Anticancer and Biothermodynamic Studies of Bioactive Water Soluble Mixed Ligand Complexes
  2. How far thiophene origomers can be tuned to show better optoelectronic applications?
  3. Surfactant–copper(II) Schiff base complexes: synthesis, structural investigation, DNA interaction, docking studies, and cytotoxic activity
  4. Halogen Bonding
  5. M–H2 bonds in [NiFe] hydrogenase
  6. Designing Bithiophene Azo Chromophores
  7. Can N and O-alkylation improve the photophysical properties of organic molecules?
  8. Role of electron withdrawing groups on optoelectronic properties of organic molecules
  9. Molecular docking for the understanding of azo dye interactions with BSA & HSA
  10. oligobenzo[c]thiophene for solar cell applications
  11. Understanding weak bonding situation in inorganic silicon compounds
  12. perylene diimide-based copolymer for photovoltic applications
  13. First report on tuning triazene chromophores using DFT/TDDFT methods
  14. Tuning Benzosiloles through various substitutents from DFT/TDDFT studies
  15. Is Imidozirconocene complex better catalyst?
  16. Hypocrellin B upon DNA binding
  17. Elucidating the structures and binding of halide ions bound to cucurbit[6]uril, hemi-cucurbit[6]uril and bambus[6]uril using DFT calculations