New Models for Aqueous Systems : Construction of Vibrational Wave Functions for use in Monte Carlo Simulations

@inproceedings{Gmez1999NewMF,
  title={New Models for Aqueous Systems : Construction of Vibrational Wave Functions for use in Monte Carlo Simulations},
  author={Mar{\'i}a Adela Monreal G{\'o}mez and Lawrence R Pratt},
  year={1999}
}
There has been great interest recently in simulation of proton exchange events in liquid water. The obvious limitations of rigid water models have led to a long and continuing history of flexible and dissociative water models for simulation of aqueous systems. One idea for improving the fidelity of simulations of chemistry in aqueous solution is to consider… CONTINUE READING