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水素移転反応のバルエンスボンド計算:理論から派生した一般的な予測パターン

Peifeng Su1, Lingchun Song, Wei Wu

  • 1Department of Chemistry, Xiamen University, Xiamen 361005, PR China.

Journal of the American Chemical Society
|October 14, 2004
PubMed
まとめ

この研究では,高度な計算方法を使用して水素抽象反応を調査しています. 研究では,化学結合の平均シングレット・トリプレット・ギャップが反応障壁を決定する主な要因であり,新しい予測式につながることがわかった.

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