Charge transfer between water molecules as the possible origin of the observed charging at the surface of pure water
Classical molecular dynamics simulations point to an anisotropy of water-water hydrogen bonding at the water surface. Approaching from the gas phase, a region of primarily dangling hydrogens is followed by dangling oxygens before the isotropic bulk region. Using ab initio calculations, we translate...
Main Authors: | Vácha, R, Marsalek, O, Willard, A, Bonthuis, D, Netz, R, Jungwirth, P |
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Format: | Journal article |
Language: | English |
Published: |
2012
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