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Updated: Sep 9, 2025

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モノメア幾何学に合わせた多極応答テンソールを用いて水のモデル化

Jonatan Öström1, Lars G M Pettersson1

  • 1Department of Physics, Stockholm University, 10691 Stockholm, Sweden.

The Journal of chemical physics
|September 2, 2025
PubMed
まとめ

この研究は,水分子の相互作用と性質を正確に予測する新しい計算モデルを開発しています. このモデルを使用した分子動力学シミュレーションは,拡散と構造の実験結果と優れた一致を示しています.

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