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Comparison of predictions obtained using optimized Mo ReaxFF from this ...

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Geometries of the optimized ReaxFF1 geometry at 3 . 1 Å and the fully ...

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Ribbon diagram of the ReaxFF-optimized structure (N1) of EPI-X4 after ...

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Comparison between E DFT and E ReaxFF (the values are scaled by ...

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(a) Multiscale framework combining DFT, ReaxFF, and CFD. (b) ReaxFF ...

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