Computational Chemistry Lab Reports

1. LAB 1: Building and Optimizing Structures in Titan
    

2. LAB 2: Manual Conformation Searching
    

3. LAB 3: Automated Conformation Searching
    

4. LAB 4: Ring Strain; Isodesmic Reaction Schemes
    

5. LAB 5: Modeling the Relative Stability of Alkenes and Carbocations
    

6. LAB 6: Modeling the Relative Basicity of Amines
    

7. LAB 7: Modeling the Bromination of Alkenes: Bromonium Ion Intermediates
    

8. LAB 8: Modeling the Pinacol Rearrangement; Locating a Transition State
    

9. LAB 9: Endo/Exo Selectivity in Diels-Alder Cycloaddition Reactions
    

10. LAB 10: Remote NMR Calculations 
     

11. LAB 11: Modeling Relative Acidities of Phenols
     

home

top of page