All Stories

  1. Spin–orbit ab initio and density functional theory study of vinyl iodide: Molecular properties and photodissociation dynamics
  2. Elucidating the effects of isoelectronic atomic substitution on the excited-state dynamics and reactivity of aromatic compounds
  3. Revisiting the global minimum of Au10 clusters
  4. High level ab initio and density functional study of TeF6+ and TeCl6+: Attainability of +7 oxidation state for tellurium
  5. Fate of transient isomer of CH2I2: Mechanism and origin of ionic photoproducts formation unveiled by time-resolved x-ray liquidography
  6. Density functional and ab initio study of samarium dihalides, SmX2 (X = I, Br, and Cl)
  7. Effect of phosphorus on the electronic and optical properties of naphthoxaphospholes: theoretical investigation