Figure 3 summarizes our simulation of spontaneous water autoionization events using QuantaMind MD at 373 K. The system consists of 3333 water molecules (9999 atoms). Because these dissociation events ...
We investigated isotope effects associated with nuclear quantum dynamics in equimolar water–phosphoric acid mixtures and their relationship to the large low-temperature isotope effect previously ...
Revealing ultrafast proton-transfer-mediated autoionization as a source of low-energy electrons in hydrogen-bonded systems Ionizing radiation can trigger ultrafast proton transfer, a central mechanism ...
Associate Dean for Research, Rooney Family Associate Professor of MEMS ...
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