Rappe, ring opening, TS2, (cis), Def2-TZVPP, G =-2880.742441 (alternative proton removal, higher energy!)
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下载链接:
https://data.hpc.imperial.ac.uk/resolve/?doi=11055
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资源简介:
Gaussian 16 (C01) calculation
提供机构:
Imperial College London
创建时间:
2022-08-26



