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Updated: Feb 13, 2026

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
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超柔らかい粒子によって形成されたバイナリークラスター結晶: クラシック密度関数理論

Felix Tscharnutter1, Vanessa Schweidler1, Gerhard Kahl1

  • 1Institut für Theoretische Physik, TU Wien, Wiedner Hauptstraße 8-10, A-1040 Vienna, Austria.

The Journal of chemical physics
|February 12, 2026
PubMed
まとめ

この研究は,超柔らかい粒子の二進体混合物の中のクラスター結晶を明らかにしています. 密度関数理論 (DFT) を用いて,研究者はBCCと四角形のクラスター結晶相を特定し,特定の相互作用パラメータで四角形のFCCを回復しました.

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