Improving the CASTEP calculation of 13C solid-state NMR chemical shifts of fl...
收藏B2FIND2026-05-02 收录
下载链接：
https://b2find.eudat.eu/dataset/3bd36f41-0d23-5445-abb3-79cf657abbbe
下载链接
链接失效反馈官方服务：
资源简介：
This data package contains folders of all GIPAW (CASTEP) calculations - geometry optimization as well as NMR parameter calculations - done for the two molecules efavirenz and...
