Diffusion-influenced reaction rates in the presence of pair interactions.

  title={Diffusion-influenced reaction rates in the presence of pair interactions.},
  author={Manuel Dibak and Christoph Fr{\"o}hner and Frank No{\'e} and Felix H{\"o}fling},
  journal={The Journal of chemical physics},
  volume={151 16},
The kinetics of bimolecular reactions in solution depends, among other factors, on intermolecular forces such as steric repulsion or electrostatic interaction. Microscopically, a pair of molecules first has to meet by diffusion before the reaction can take place. In this work, we establish an extension of Doi's volume reaction model to molecules interacting via pair potentials, which is a key ingredient for interacting-particle-based reaction-diffusion (iPRD) simulations. As a central result… 

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