All Stories

  1. Transition metal doped fullerene C20: A promising hydrogen storage device
  2. Boron-phosphorous doped graphyne: A near-infrared light absorber
  3. Influence of noble gas atoms on B12N12 fullerene: A DFT study
  4. Donor-acceptor decorated graphyne: A promising candidate for nonlinear optical application
  5. Theoretical investigation of electronic, vibrational, and nonlinear optical properties of 4-fluoro-4-hydroxybenzophenone
  6. Graphyne as UV light protector
  7. Electronic and optical properties of pristine and boron–nitrogen doped graphyne nanotubes
  8. A first principle study of pristine and BN-doped graphyne family
  9. Nickel Decorated Single-Wall Carbon Nanotube as CO Sensor
  10. A computational study of armchair nanotube
  11. Electrophilicity Index
  12. Electrophilicity Index