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amorphous polymer can be used as adsorbent

Started by h1h2x3, February 17, 2022, 07:32:50 AM

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I notice that the framwork as adsorbent are created from cif file because they are all crystal. If I want to use noncrystalline polymer as a framework, how can I creat such input file for polymer in raspa?

David Dubbeldam

The positions of the atoms of the framework are 'input'. There might be tools available (builders) that create these initial structures for you.