Computer Science & Engineering
Quantum Chemistry
- UV-Visible Spectroscopy of Conjugated Molecules
- Vib-rotational Spectroscopy of Hydrogen Chloride
- Geometry Optimization using ab initio quantum calcuations
- Calculation of Vibrational Frequency of Molecules and Visualization of Normal Modes
- Huckel Molecular Orbital Theory
- Conformational Analysis of 1,2-dichloroethane
- Transition State Calculation for a SN2 reaction
- Eigen systems: Geometrical Intepretation
- Geometry Optimization of Molecules