Dataset for the article "Modeling Chemical Reactivity in Complex Systems: Insights from Hybrid QM/MM MD Simulations"

Name: Dataset for the article "Modeling Chemical Reactivity in Complex Systems: Insights from Hybrid QM/MM MD Simulations"
Creator: Zenodo
Published: 2025-08-04T09:51:27+08:00

Zenodo2025-10-30 更新2026-05-26 收录

数据链接：

https://zenodo.org/doi/10.5281/zenodo.16638277 数据链接链接失效反馈

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资源简介：

This dataset contains additional material related to the article "Modeling Chemical Reactivity in Complex Systems: Insights from Hybrid QM/MM MD Simulations", and the Jupyter notebooks with the analysis scripts to reproduce the plots in the article.

提供机构：

Zenodo

创建时间：

2025-08-04

Dataset for the article "Modeling Chemical Reactivity in Complex Systems: Insights from Hybrid QM/MM MD Simulations"

资源简介：

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