https://p97signal.com/index.ph....p/quick-discipline-c
A careful analysis of the proton jumps between different environments confirmed that the inward and outward bending says are appropriate for the knowledge of proton diffusion. Indeed, intra-octahedral jumps were demonstrated to just happen starting from an outward configuration whilst the inward setup seems to prefer rotations round the oxygen. An average of, into the DFT-MD simulations, the hydrogen bond lengths are shorter for the outward configuration which facilitates the intra-octahe
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