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Elucidating the breathing of the metal-organic framework MIL-53(Sc) with ab initio molecular dynamics simulations and in situ X-ray powder diffraction experiments

机译：通过从头算分子动力学模拟和原位 X射线粉末衍射实验阐明了金属有机骨架MIL-53（Sc）的呼吸

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Chen, Linjiang; Mowat, John P. S.; Fairen-Jimenez, David; Morrison, Carole A.; Thompson, Stephen P.; Wright, Paul A.; Dueren, Tina;
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年度 2013

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机译：通过从头算分子动力学模拟和原位X射线粉末衍射实验阐明金属有机骨架MIL-53（Sc）的呼吸

4. Characteristics of flexibility in metal-organic framework solid solutions of composition [Zn-2(BME-bdc)x(DB-bdc)(2-x)dabco](n): In situ powder X-ray diffraction, in situ NMR spectroscopy, and molecular dynamics simulations [J] . Bon Volodymyr, Pallmann Julia, Eisbein Emanuel, Microporous and mesoporous materials: The offical journal of the International Zeolite Association . 2015,第Null期

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Elucidating the breathing of the metal-organic framework MIL-53(Sc) with ab initio molecular dynamics simulations and in situ X-ray powder diffraction experiments

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