Quantum diffusion of hydrogen and muonium atoms in liquid water and hexagonal ice.

We have used the ring polymer molecular dynamics method to study the diffusion of muonium, hydrogen, and deuterium atoms in liquid water and hexagonal ice over a wide temperature range (8-361 K). Quantum effects are found to dramatically reduce the diffusion of muonium in water relative to that pred...

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Bibliografische gegevens
Hoofdauteurs: Markland, T, Habershon, S, Manolopoulos, D
Formaat: Journal article
Taal:English
Gepubliceerd in: 2008