Data supporting "Molecules with dipoles in periodic boundary conditions in a tetragonal cell"

Name: Data supporting "Molecules with dipoles in periodic boundary conditions in a tetragonal cell"
Creator: Apollo - University of Cambridge Repository
Published: 2019-05-09T16:46:23+08:00

DataCite Commons2024-12-17 更新2024-08-25 收录

分子建模

计算化学

数据链接：

https://www.repository.cam.ac.uk/handle/1810/294468 数据链接链接失效反馈

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资源简介：

All data for above paper. Contains Castep input and output files, and python scripts for calculating Ewald energies with their outputs. Also contains the figures from the paper. See the README.txt file for more information.

提供机构：

Apollo - University of Cambridge Repository

创建时间：

2019-05-09