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. 2006 Sep 14;103(39):14282–14287. doi: 10.1073/pnas.0603679103

Fig. 4.

Fig. 4.

Snapshots from ab initio molecular dynamics simulations. (a) Snapshots of the singly occupied molecular orbital dynamics as a function of time, for isomer A of (H2O)4 at 300 K. (b) Snapshots from the (H2O)4 trajectory, after electron detachment from a at t = 0.