List of Figures

  1. Directory Tree of deMon2k
  2. Z-Matrix Input Orientation
  3. Dihedral Angle Definition
  4. Mixed Input Definition
  5. QM/MM Input Definition
  6. Basis Set Exchange Library
  7. Stuttgart-Dresden ECPs
  8. Los Alamos National Laboratory ECPs
  9. Lovallo-Klobukowski MCPs
  10. Saddle Alignment
  11. BOMD Temperature Profiles
  12. Phase Space Distribution
  13. Elliptic Coordinates
  14. Molecular Field Plots
  15. Critical Points of Molecular Fields
  16. Isodensity Surface and Electrostatic Potential of Insulin