Dataset for the article "Assessing the Partial Hessian Approximation in QM/MM-based Vibrational Analysis"
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下载链接：
https://zenodo.org/record/12684650
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资源简介：
This dataset contains the raw data and Jupyter notebooks used in the article "Assessing the Partial Hessian Approximation in QM/MM-based Vibrational Analysis."
创建时间：
2024-10-14
