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Updated: Jul 14, 2026

Spatial Separation of Molecular Conformers and Clusters
10:37

Spatial Separation of Molecular Conformers and Clusters

Published on: January 9, 2014

フォトエクシテッド I-(H2O) n クラスタのリラクゼーションダイナミクスのさらなる洞察

Qadir K Timerghazin1, Gilles H Peslherbe

  • 1Centre for Research in Molecular Modeling, Department of Chemistry & Biochemistry, Concordia University, 1455 de Maisonneuve Boulevard West, Montréal, Québec, Canada H3G 1M8.

Journal of the American Chemical Society
|August 14, 2003
PubMed
まとめ

第一原理のシミュレーションでは,興奮したヨウ素水群 (I-H2O) が,水分子の急速な動きとヨウ素原子の遅い反発によってリラックスすることを明らかにしています. このダイナミクスは,実験スペクトロスコピーの結果を理解する上で極めて重要です.

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