Si(100) 表面の境界軌道記述:対称性が許され,協調された [2 + 2] サイクル追加への経路

Peter M Ryan1, Lucile C Teague, John J Boland

  • 1Centre for Research on Adaptive Nanostructures and Nanodevices, School of Chemistry, Trinity College Dublin, Dublin 2, Ireland.

まとめ

私たちは,シリコン表面のための新しいフロンティア軌道モデルを開発しました. このモデルは,Si ((100) 上の議論の余地のある [2+2] サイクル添加反応を説明し,実験結果と整合して,許容される製品を予測します.

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