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  1. Externally predictive quantum-mechanical models for the adsorption of aromatic organic compounds by graphene-oxide nanomaterials
  2. Analysis of newly synthesized disulfides of aryldithiocarbonates and vanadium(V) and niobium(V) complexes of aryldithiocarbonates based on spectroscopic, thermogravimetric, SEM and DFT studies
  3. Quantum-mechanical LSERs for the concentration-dependent adsorption of aromatic organic compounds by activated carbon: Applications and comparison with carbon nanotubes
  4. Exploring the role of quantum-mechanical descriptors in the concentration-dependent adsorption of aromatic organic compounds by multiwalled carbon nanotubes
  5. Water-catalysis in the gas phase reaction of dithioformic acid with hydroxyl radical: global reaction route mapping of oxidative pathways for hydrogen abstraction
  6. Exploring the mechanism of isomerisation and water-migration in the water-complexes of amino-acid l-proline: electrostatic potential and vibrational analysis
  7. Exploring Water Catalysis in the Reaction of Thioformic Acid with Hydroxyl Radical: A Global Reaction Route Mapping Perspective
  8. Electron-correlation based externally predictive QSARs for mutagenicity of nitrated-PAHs in Salmonella typhimurium TA100
  9. The mechanism of tautomerisation and geometric isomerisation in thioformic acid and its water complexes: exploring chemical pathways for water migration
  10. Externally predictive quantitative modeling of supercooled liquid vapor pressure of polychlorinated-naphthalenes through electron-correlation based quantum–mechanical descriptors