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Updated: Jun 19, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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ラーマン光譜法と,第一原理計算から得られた水素クラトラート水素のケージ占有率

Jianwei Wang1, Hailong Lu, John A Ripmeester

  • 1Department of Geological Sciences, University of Michigan, Ann Arbor, Michigan 48109, USA. jwwang@umich.edu

Journal of the American Chemical Society
|October 8, 2009
PubMed
まとめ

水素クラスラートの研究は,異なる分子行動を示しています. 二重に占有される小さなケージは,単一の占有または大きなケージとは異なり,H2を緊密に制限し,振動モードと水素貯蔵の可能性に影響を与えます.

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