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(A) The RMSD of C4 and C12 molecule inside MFI zeolite. (B) The distribution of width for C12 molecule inside MFI zeolite at various temperatures. (C) Self-diffusion coefficient at different temperatures of 12 rigid C12 molecules in a system of 12 rigid and 12 flexible (blue), and 12 rigid and 12 rigid (pink). (D) Self-diffusion coefficients of C12 inside MTW, TON, AFI, and VFI zeolites.
