Dataset for "Analytic High-order Geometric Derivatives with Polarizable Embedding in a Response Function Framework"

Name: Dataset for "Analytic High-order Geometric Derivatives with Polarizable Embedding in a Response Function Framework"
Published: 2021-01-20T00:00:00+08:00

NIAID Data Ecosystem2026-03-12 收录

极化嵌入响应函数

高阶几何导数计算

数据链接：

https://zenodo.org/record/4285810 数据链接链接失效反馈

官方服务：

资源简介：

This dataset contains data for the article "Analytic High-order Geometric Derivatives with Polarizable Embedding in a Response Function Framework"

创建时间：

2021-01-20

Dataset for "Analytic High-order Geometric Derivatives with Polarizable Embedding in a Response Function Framework"

资源简介：

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