Bis(terpyridine)manganese(IV) complexes
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下载链接：
https://figshare.com/articles/dataset/Bis_terpyridine_manganese_IV_complexes/19575637
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资源简介：
Gaussian output files of DFT calculations on a series of 6 different bis(terpyridine)manganese(IV) complexes. The output files provide information on the optimized geometry, Mulliken spin populations and five frontier molecular orbitals (including HOMO and LUMO).
创建时间：
2022-04-11
