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用分子动力学模拟的水与MOF-5的相互作用

Jeffery A Greathouse1, Mark D Allendorf

  • 1Geochemistry Department, Sandia National Laboratories, PO Box 5800, Albuquerque, New Mexico 87185, USA. jagreat@sandia.gov

Journal of the American Chemical Society
|August 17, 2006
PubMed
概括

新的力场模型揭示了金属有机框架-5 (MOF-5) 与水的稳定性极限. MOF-5可以承受较低的湿度,但由于结构变化,在含水量较高时会崩.

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