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TABLE II

Results of Equilibrium MD Simulations


Time
No. of permeations
q0
pd × 1014
 ns  molecules/ns/pore cm3/s/pore 
H231.1 71 0.29 ± 0.026 0.85 ± 0.078 
D226.3 65 0.31 ± 0.085 1.0 ± 0.28 

Time
No. of permeations
q0
pd × 1014
 ns  molecules/ns/pore cm3/s/pore 
H231.1 71 0.29 ± 0.026 0.85 ± 0.078 
D226.3 65 0.31 ± 0.085 1.0 ± 0.28 
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