All Stories

  1. Structures of neutral ethanol hexamer
  2. Single ion solvation
  3. Structures of solvated ferrous ion clusters in ammonia and spin-crossover at various temperatures
  4. Structures, relative stability and binding energies of neutral water clusters, (H2O)2–30
  5. Large Sized Protonated Ammonia Clusters
  6. Structures and spectroscopy of the ammonia eicosamer, (NH3)n=20
  7. Solvation energies of the proton in methanol revisited and temperature effects
  8. Solvation energies of the proton in ammonia explicitly versus temperature
  9. Structures and spectroscopy of medium size protonated ammonia clusters at different temperatures, H+(NH3)10–16
  10. Protonated Ammonia Clusters
  11. Structures and relative stabilities of ammonia clusters at different temperatures: DFT vs. ab initio