All Stories

  1. Mechanical Properties of Soot Particles: The Impact of Crosslinked Polycyclic Aromatic Hydrocarbons
  2. Ion-Induced Soot Nucleation Using a New Potential for Curved Aromatics
  3. A random cloud algorithm for the Schrödinger equation
  4. Theoretical Study of the Ti–Cl Bond Cleavage Reaction in TiCl4
  5. Ab initio Variational Transition State Theory and Master Equation Study of the Reaction (OH)3SiOCH2 + CH3 ⇌ (OH)3SiOC2H5
  6. The future of computational modelling in reaction engineering