The role of quantum effects on structural and electronic fluctuations in neat and charged water.
In this work, we revisit the role of nuclear quantum effects on the structural and electronic properties of the excess proton in bulk liquid water using advanced molecular dynamics techniques. The hydronium ion is known to be a weak acceptor of a hydrogen bond which gives it some hydrophobic charact...
| Main Authors: | , , , |
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| Format: | Journal article |
| Jezik: | English |
| Izdano: |
2014
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