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Updated: Jun 4, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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ステイキオメトリックと酸素豊富なM2O (n) -とM2O (n) (M = Nb,Ta; n = 5-7) クラスター:酸素ラジカル,ダイラジカル,超酸化物の分子モデル

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
まとめ

この研究では,ニオビウムとタンタール酸化物のクラスターを調査し,高い電子親和性と強力な酸素活性化能力を明らかにしました. これらの発見は,過渡金属酸化物における欠陥による触媒の理解に極めて重要です.

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