Chemical Shifts in Molecular Solids by Machine Learning Datasets
收藏B2FIND2026-04-11 收录
下载链接：
https://b2find.eudat.eu/dataset/7fd6bd08-0774-5958-a925-7a956cceaeda
下载链接
链接失效反馈官方服务：
资源简介：
We present a database of energy and NMR chemical shifts DFT calculations of 4150 crystal organic solids. The structures contain only H/C/N/O/S atoms and were subject to...
