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We estimate the percentage of accessible to guests by using the PLATON program.11 PLATON calculates the accessible by allowing a spherical probe of variable radius to roll over the van der Waals surface of the network. PLATON uses a default value of 1.20 Å for the radius of the probe, which is an appropriate model for small guests such as water
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11 PLATON calculates the accessible volume by allowing a spherical probe of variable radius to roll over the van der Waals surface of the network. PLATON uses a default value of 1.20 Å for the radius of the probe, which is an appropriate model for small guests such as water.
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2O included could not be determined accurately.
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See the Supporting Information for details
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See the Supporting Information for details.
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Representations of channels were generated by the Cavities option in the program ATOMS Version 5.1 Shape Software, 521 Hidden Valley Road, Kingsport, Tennessee 37663 U.S.A
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Representations of channels were generated by the Cavities option in the program ATOMS Version 5.1 (Shape Software, 521 Hidden Valley Road, Kingsport, Tennessee 37663 U.S.A.; www.shapesoftware.com).
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