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Updated: Jun 11, 2026

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
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フルレンC70内の水素分子:量子力学,エネルギー学,最大占有率,C60との比較

Francesco Sebastianelli1, Minzhong Xu, Zlatko Bacić

  • 1Department of Chemistry, New York University, New York, New York 10003, USA.

Journal of the American Chemical Society
|June 30, 2010
PubMed
まとめ

この研究では,エンドヘドラルフルレン複合体は,C70の最大2つの水素 (H) 分子を安定させることができ,C60の最大1つの水素 (H) 分子を安定させることができることを明らかにしました. 量子力学的計算は,安定性を決定する上で変換回転ゼロポイントエネルギーの重要な役割を強調しています.

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