ArticleFrontiers in chemistry2025
Non-covalent interactions in MOFs: a quantum approach to gas adsorption and molecular encapsulation.
Article in Frontiers in chemistry, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Non-covalent interactions are fundamental for understanding the chemical behavior of porous materials with guest molecules, which is key for designing new materials. The Quantum Theory of Atoms in Molecules has enabled us to visualize and analyze non-covalent interactions in host-guest systems, particularly with Metal-Organic Frameworks (MOFs) as hosts. Using this tool, we have investigated the adsorption mechanisms of highly polluting gases such as CO and
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