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Updated: Jul 12, 2026

Synthesis and Characterization of Functionalized Metal-organic Frameworks
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利用金属有机框架进行化吸附:从力场开发,计算选到机器学习

Athulya S Palakkal1, Yifei Yue1,2, Saad Aldin Mohamed1

  • 1Department of Chemical and Biomolecular Engineering, National University of Singapore, Singapore 117576, Singapore.

Environmental science & technology
|September 2, 2024
PubMed
概括

研究人员开发了一种新的力场和计算选方法,以确定用于存储乙烯化物 (VDF) 的高性能金属有机框架 (MOF). 这推动了用于气体捕获的先进纳米孔状材料的设计.

关键词:
金属-有机框架的框架.计算选进行了计算选.化气体是一种化气体.实力场 实力场 实力场 实力场机器学习是机器学习.

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The hemoglobin in the blood, the chlorophyll in green plants, vitamin B-12, and the catalyst used in the manufacture of polyethylene all contain coordination compounds. Ions of the metals, especially the transition metals, are likely to form complexes.
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...