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Thana Maihom, Saowapak Choomwattana, Dr. Pipat Khongpracha, Prof. Dr. Michael Probst and Prof. Dr. Jumras Limtrakul Formaldehyde Encapsulated in Lithium-Decorated Metal-Organic Frameworks: A Density Functional Theory Study ChemPhysChem 13

Version of Record online: 7 NOV 2011 | DOI: 10.1002/cphc.201100642

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Gotcha: The equilibrium between adsorbed formaldehyde and trioxane in the Li-MOF-5 system (see picture) was investigated by means of density functional calculations with the M06-L functional.

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