Compound 56: bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)copper, ROM062X/Def2-SVP, Two long Cu-N
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https://data.hpc.imperial.ac.uk/resolve/?doi=10323
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资源简介：
Gaussian 16 (C01) calculation, starting from a geometry with two long Cu-N bonds (2.39) and four short Cu-O bond. After optimisation, the structure reverts to one with two short Cu-N bonds, two short Cu-O bonds and a pair of long Cu-O bonds.
提供机构：
Imperial College London
创建时间：
2022-03-30
