Modelling - Getting Móilín
Building and displaying molecules
Building and optimizing BF3
Building, optimizing and displaying the Lone Pair in SF4
Reacting BF3 + NH3
Building and optimizing diborane, B2H6.
Calculating Energy v.s. Distance Curves for F2 and "He2"
Calculating a bond rotation energy profile for 1,2-Dibromoethane
Plotting the Molecular Orbitals of Ferrocene
Stepwise Reaction of Ethene with Br2
Glucose Sucrose Starch Cellulose
Amino acids, Peptide bond and Proteins
Fatty acid Cholesterol Glycerides
DNA / RNA
Building Blocks of DNA / RNA
Animating Vibrations and Orbital Plots using PC-Gamess (requires PC-Gamess)
Thermal annealing of cyclohexane derivatives (requires Tinker)
Packing two unit cells of NaCl
Cubic and Hexagonal Diamond.
Using Octahedra to illustrate the structures of Rutile, Anatase, and Brookite
The Structures of a-Quartz, b-Cristobalite and b-tridimite.
Reassembling a broken molecule (within an asymmetric unit)
Examining and Building a Lattice Network
Solving a Crystal Structure including ten sample data sets for teaching purposes.
Generating an X-ray powder diffraction pattern from a Shelx INS file
Predicting the crystal structure of o-tuluidinium chloride
Using an unknown
atom coordinate format
Problems and counter measures