DLPNO-CCSD(T) calculations for mononuclear Fe complexes
收藏B2FIND2026-04-28 收录
下载链接：
https://b2find.eudat.eu/dataset/a7cda2dd-faac-56fa-8d75-b5c7710a9f2d
下载链接
链接失效反馈官方服务：
资源简介：
Orca output files of DLPNO-CCSD(T) calculations on Fe complexes. Based on these results electronic energy differences between the high- and low-spin state isomers can be...
