Modeling adsorption properties of structurally deformed metal–organic frameworks using structure–property map
نویسندگان
چکیده
منابع مشابه
Modeling adsorption properties of structurally deformed metal-organic frameworks using structure-property map.
Structural deformation and collapse in metal-organic frameworks (MOFs) can lead to loss of long-range order, making it a challenge to model these amorphous materials using conventional computational methods. In this work, we show that a structure-property map consisting of simulated data for crystalline MOFs can be used to indirectly obtain adsorption properties of structurally deformed MOFs. T...
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ژورنال
عنوان ژورنال: Proceedings of the National Academy of Sciences
سال: 2017
ISSN: 0027-8424,1091-6490
DOI: 10.1073/pnas.1706330114