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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Lewis-inspired representation of dissociable water in clusters and Grotthuss chains

Seyit Kale1, Judith Herzfeld, Stacy Dai

  • 1Graduate Program in Biophysics and Structural Biology, Brandeis University, Waltham, MA 02454 USA.

Journal of Biological Physics
|January 2, 2013
PubMed

Keywords:
DissociableEigenGrotthuss mechanismHydrogen bondingHydroniumHydroxidePolarizableProton transferWater modelZundel

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