Computational characterization of Cu(I)-catalyzed reactions - geometry optimizations.
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https://figshare.com/articles/dataset/Bernini/1528305
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资源简介：
Optimization: inputs and outputs. Computations were performed using Firefly 8.0 (Alex Granovsky http://classic.chem.msu.su/gran/firefly/index.html)
Excel table and coordinates in .xyz format are available at dx.doi.org/10.6084/m9.figshare.2073322
创建时间：
2016-02-05
