Week - 1 |
Basic concepts |
Week - 2 |
Molecular Mechanics models |
Week - 3 |
Hartree Fock method |
Week - 4 |
Basis sets |
Week - 5 |
Molecular symmetry |
Week - 6 |
Semi-experimental methods |
Week - 7 |
Geometric optimization |
Week - 8 |
Density functional theory |
Week - 9 |
Infrared and Raman Spectroscopy |
Week - 10 |
Vibrational frequencies |
Week - 11 |
Scale factors |
Week - 12 |
GaussView program and applications |
Week - 13 |
GaussView program and applications |
Week - 14 |
Comparison of experimental and theoretical results for the sample molecule |