Recent advances in the computational chemistry of soft porous crystals
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We highlight recent progress in the field of computational chemistry of nanoporous materials, focusing on methods and studies that address the extraordinary dynamic nature of these systems: the high flexibility of their frameworks, the large-scale structural changes upon external physical or chemical stimulation, and the presence of defects and disorder.
2019 ◽
Vol 19
(1)
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pp. 4-16
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