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Updated: Jun 29, 2026

Synthesis and Characterization of Functionalized Metal-organic Frameworks
11:27

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Published on: September 5, 2014

TBHubbard:用于金属有机框架的紧密结合和扩展的哈伯德模型数据集

Pamela Costa Carvalho1, Federico Zipoli2,3, Alan C Duriez4

  • 1IBM Research, São Paulo, 04007-900, SP, Brazil.

Scientific data
|November 12, 2025
PubMed
概括

这项研究将QMOF数据集与10,000个金属有机框架 (MOF) 的模拟电子结构数据增强. 这为机器学习和量子计算在材料科学中的应用提供了关键数据.

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