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Updated: Jul 6, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

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アリル対ベンジルC-H結合の活性化における動力学的および熱力学的好み,カチオン性Pt (II) 複合体とのC-H結合の活性化

Alan F Heyduk1, Tom G Driver, Jay A Labinger

  • 1The Arnold and Mabel Beckman Laboratories of Chemical Synthesis, California Institute of Technology, Pasadena, California 91125, USA.

Journal of the American Chemical Society
|November 19, 2004
PubMed
まとめ

新しい無水カリオンプラチナ (((II) 複合体は,芳香化合物のC-H結合を活性化します. これらの複合体は,特殊な構造的中間物質により,反応性が向上し,メチルベンゼンの芳香活性化よりもベンジル活性化に優遇する.

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