3a-4 in thf with three amines as PT mechanism, TS1 (Sn2), Def2-TZVPP, G = -922.753680, DG = 32.0
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https://data.hpc.imperial.ac.uk/resolve/?doi=11479
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资源简介：
Gaussian 16 (C01) calculation. G = -922.765838 @339K. DG = 32.3 kcal/mol @ 339K.
提供机构：
Imperial College London
创建时间：
2022-10-19
