Dataset of Combined Computational-Experimental Study of Ru(0)-Catalyzed Guerbet Reaction
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下载链接：
https://amsacta.unibo.it/id/eprint/7842
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资源简介：
The present dataset contains data collected in order to computationally disclose the reaction mechanism of the Guerbet reaction in the presence of a Ru(0)-NHC catalyst and NaEtO as co-catalyst. The dataset is composed by cartesian coordinates of optimized geometries of the stationary points characterized with the density functional theory (DFT) calculations.
提供机构：
University of Bologna
创建时间：
2024-10-02
