Condensed Phase Non-Equilibrium Reaction Dynamics

  1. 1. Inefficient Post-Transition State Intermolecular Energy Transfer and Non-Equilibrium Kinetics for a Hydroboration Reaction in Solution.
  2. Direct dynamics simulations were performed to study the reaction between BH3 and C3H6 in THF to form Markovnikov and anti-Markovnikov products.1

References

  1. 1. "Inefficient Post-Transition State Intermolecular Energy Transfer and Non-Equilibrium Kinetics for a Hydroboration Reaction in Solution." to be communicated
    S. C. Kohale, D. Denslow, R. Sun, D. Singleton and W. L. Hase