Theoretical / proof-based
Chemical kinetics · Graduate · Chemistry
Topics
Rigorous kinetic theory
- Derivation of rate laws from mechanistic schemes
- Proof of steady-state approximation conditions
- Linear free-energy relationships in kinetics
- Potential energy surface topology and reaction coordinates
- Variational transition state theory
- Rice–Ramsperger–Kassel–Marcus (RRKM) theory derivation
- Unimolecular falloff and Lindemann mechanism
- Master equation approach to chemical kinetics
- Stochastic simulation algorithms (Gillespie)
- Connection between deterministic and stochastic kinetics
Advanced dynamics
- Transition path sampling and committor analysis
- Reaction coordinate identification: PCA, committor, MSM
- Nonadiabatic dynamics and surface hopping (overview)
- Femtochemistry: transition state spectroscopy
- Photodissociation dynamics and vector correlations
- Statistical theories of reaction rates in clusters
- Quantum effects on rate constants at low temperature
- Kinetic isotope effects as probes of transition state structure
- Heavy-atom tunneling in enzymatic reactions
- Computational kinetics: variational TS search and VTST
Pricing
Graduate-level rates are set on consultation. See the pricing page for K–12 and undergraduate rates.