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van Duin, Adri C. T. and Merinov, Boris V. and Han, Sang Soo et al. (2008) ReaxFF Reactive Force Field for the Y-Doped BaZrO_3 Proton Conductor with Applications to Diffusion Rates for Multigranular Systems. Journal of Physical Chemistry A, 112 (45). pp. 11414-11422. ISSN 1089-5639. doi:10.1021/jp801082q.

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