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Updated: Jun 20, 2026

Discovery and Synthesis Optimization of Isoreticular Al(III) Phosphonate-Based Metal-Organic Framework Compounds Using High-Throughput Methods
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Published on: October 6, 2023

用K边缘X射线吸收光谱和时间依赖密度函数理论确定的d和f元素金属二二的共价趋势

Stosh A Kozimor1, Ping Yang, Enrique R Batista

  • 1Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA.

Journal of the American Chemical Society
|August 27, 2009
PubMed
概括

这项研究使用X射线吸收光谱和DFT来比较金属-键中的轨道混合,以寻找过渡金属和活性化物. 显示了过渡元素的约一半的共价轨道混合.

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