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Updated: Feb 6, 2026

Spatial Separation of Molecular Conformers and Clusters
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ポリエチルシランにおける孔外化に対するコンフォーメーションの効果を理解する

Milena Jovanovic1,2, Josef Michl1,2

  • 1Department of Chemistry and Biochemistry , University of Colorado , Boulder , Colorado 80309-0215 , United States.

Journal of the American Chemical Society
|August 18, 2018
PubMed
まとめ

密度関数理論の計算により,シグマ電子のポリシランの振る舞いの単純な説明が確認される. このモデルは,電子の局所化/異地化が分子構成によってどのように変化するかを正確に記述しています.

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