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Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids
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Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids

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化学-構造-シミュレーションまたは化学-シミュレーション-構造のシーケンス? MIL-34のケースは,新しい多孔性アルミノフォスファートである

T Loiseau1, C Mellot-Draznieks, C Sassoye

  • 1Institut Lavoisier, UMR CNRS 8637, Université de Versailles St. Quentin en Yvelines, 45, Avenue des Etats-Unis, 78035 Versailles Cedex, France.

Journal of the American Chemical Society
|September 27, 2001
PubMed
まとめ

研究者らはアルミノフォスファートMIL-34を調査し,その3Dの枠組みと毛孔系を明らかにした. 化により,安定した,テンプレートのないゼオタイプ構造に変換され,計算シミュレーションを使用して予測されました.

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