Dataset for the article "Assessing the Partial Hessian Approximation in QM/MM-based Vibrational Analysis"

Name: Dataset for the article "Assessing the Partial Hessian Approximation in QM/MM-based Vibrational Analysis"
Published: 2024-10-14T00:00:00+08:00

NIAID Data Ecosystem2026-05-02 收录

QM/MM振动分析

部分海森近似评估

数据链接：

https://zenodo.org/record/12684650 数据链接链接失效反馈

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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

Dataset for the article "Assessing the Partial Hessian Approximation in QM/MM-based Vibrational Analysis"

资源简介：

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