Each student is required to complete a final project.
Student Project Titles
Session 22
- Computational Approach to Study Methionine Oxidation by Free Radicals
- Solvation Energies of Polycyclic Aromatic Hydrocarbons (PAHs)
- Reactions of OH Radicals with Acetone in the Atmosphere
- Absorption Spectrum of Ruthenium Complexes by Time Dependent Density Functional Theory - A Comparison with Linear Response
- Accuracy of Existing Relativistic Numerical Methods in Predicting the Properties of Heavy Metal Diatomic Molecules
- Potential Biases in Electronic Structure Calculations
- Quantum Chemical Study of the Structure and Thermodynamics of the ONOO-/CO2 Adduct
- Simulation of Keto-enol Tautomerism using CPMD Plus Metadynamics
- The Effect of Counterions on Molecular Actuators: An Oligothiophene Actuator in the Presence of Hexafluorophosphate
- Kinetics of OH Radical Transfer
- Estimation of Solution Phase Thermochemistry
Session 23
- Modifications of Polyhedral Oligomeric Silsesquioxane (POSS) to Increase Polymer Strength
- ab Inito Calculations of the Weakly Bound Cluster Ar-HCCCN
- MgO Surface Properties w/XL Orientation
- Inversion-internal Rotational Spectra of Methylamine from First Principles
- Accurate Thermodynamic Bulk Data of Ethyl Radical from Quantum Chemistry