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Updated: Mar 29, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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ダイナミック・コバルント・システム化学の定量反応性スケール

Yuntao Zhou1, Lijie Li1,2, Hebo Ye1

  • 1State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences , Fuzhou, Fujian 350002, PR China.

Journal of the American Chemical Society
|December 15, 2015
PubMed
まとめ

科学者は,反応の均衡を予測するために,ダイナミック・コバルント・ケミストリー (DCC) の定量反応性スケールを開発した. イミン反応に基づいたこれらのスケールは,分子組立設計と触媒のための新しいツールを提供します.

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