Data for: "Structurally Defined Ring-Opening and Insertion of Pinacolborane into Aluminium-Nitrogen Bonds of Sterically Demanding Dialkylaluminium Amides"
收藏DataCite Commons2020-10-30 更新2025-04-17 收录
下载链接：
https://pureportal.strath.ac.uk/en/datasets/897a827d-a07c-4fc8-925d-2e1cc0b1baba
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资源简介：
This dataset is linked to the epsrc DTP award EP/M508159 and epsrc funded ARCHIE-WeSt High Performance Computer award EP/K000586/1. It consists of 3 files: 1. NMR data (zip file) 2. X-ray crystallographic information file (zip file) 3. DFT calculations data - the optimised structures, vibrational frequencies and all related energy data (zip) Note that specialist programs are required to view the raw data provided: the NMR data in file 1 requires a program such as Topspin or Mestrelab to view. The X-ray crystallographic information (file 2) requires a program such as Mercury or Diamond. The DFT calculation data in file 3 requires a program such as Gaussian 16 to view. The paper has been published in the European Journal of Inorganic Chemistry.
提供机构：
University of Strathclyde
创建时间：
2020-10-30
