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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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动态共价和系统化学的定量反应量表

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
概括

科学家们开发了动态共价化学 (DCC) 的定量反应量表来预测反应平衡. 这些基于 imine 反应的尺度为分子组装设计和催化提供了新的工具.

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