All Stories

  1. Hidden Beneath the Surface: Origin of the Observed Enantioselective Adsorption on PdGa(111)
  2. Powder diffraction and crystal structure prediction identify four new coumarin polymorphs
  3. First-principles modeling of molecular crystals: structures and stabilities, temperature and pressure
  4. Report on the sixth blind test of organic crystal structure prediction methods
  5. Adsorption of Glucose, Cellobiose, and Cellotetraose onto Cellulose Model Surfaces
  6. Is Electrostatics Sufficient to Describe Hydrogen-Bonding Interactions?
  7. Variational solution of the congruently transformed Hamiltonian for many-electron systems using a full-configuration-interaction calculation