The distribution of acceptor and donor hydrogen-bonds in bulk liquid water

  title={The distribution of acceptor and donor hydrogen-bonds in bulk liquid water},
  author={Omer Markovitch and Noam Agmon},
  journal={Molecular Physics},
  pages={485 - 495}
We analyse the distributions of donor and acceptor HBs in liquid water and their relation to deviations from tetrahedral symmetry. Their joint, unconditional and conditional distributions are calculated at several temperatures from classical molecular dynamics trajectories for two water models. Surprisingly, the distribution of acceptor HBs terminating at the water lone-pairs is wider than the donor distribution emanating from its hydrogen atoms. This correlates with a higher probability of… 
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