The fuzzy quantum proton in the hydrogen chloride hydrates.

The motion of the excess proton is understood as a process involving interconversion between two limiting states, namely, the Eigen and Zundel cations. Nuclear quantum effects (NQE) and the organization of the surrounding solvent play a significant role in this process. However, little is known abou...

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Bibliographic Details
Main Authors: Hassanali, A, Cuny, J, Ceriotti, M, Pickard, C, Parrinello, M
Format: Journal article
Language:English
Published: 2012