Experimental Techniques: Hi-Res Charge Density Studies

 

High resolution charge density (HRCD)

  • Calculate Intermolecular interaction energy
  • Calculate electric static potential of molecule
  • Bonding information (topological analysis and source function analysis)
  • Characterization of the H-BOND
  • Determine the atomic charge using Atom in Molecular Theory(AIM)
  • Extract the "experimental wave function"