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Updated: Jul 10, 2026

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
13:58

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Published on: September 28, 2016

密度関数理論の応用によるM-C/H-C結合エンタルピー関係の検証

Eric Clot1, Claire Mégret, Odile Eisenstein

  • 1LSDSMS (UMR 5636, CNRS-UM2), Institut Charles Gerhardt, Université Montpellier 2, 34095 Montpellier Cedex 5, France.

Journal of the American Chemical Society
|June 22, 2006
PubMed
まとめ

計算方法は,金属-炭素 (M-C) 結合エンタピーを,水素-炭素 (H-C) 結合エンタピーの相関によって正確に予測します. このアプローチは,ロジウムとチタン複合体の実験データに対する理論的計算を検証します.

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