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Updated: Jun 4, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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固态度和富含氧的M2O (n) -和M2O (n) (M = Nb,Ta;n = 5-7) 集群:氧基,二基和超氧化物的分子模型

Hua-Jin Zhai1, Xian-Hui Zhang, Wen-Jie Chen

  • 1Department of Chemistry, Brown University, Providence, Rhode Island 02912, USA.

Journal of the American Chemical Society
|February 11, 2011
PubMed
概括

这项研究探讨了和氧化物集群,揭示了高电子亲和度和强大的氧激活能力. 这些发现对于理解过渡金属氧化物中缺陷驱动的催化是至关重要的.

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