B3LYP/Def2-TZVPP, GD3BJ, TS, Chair, t-Butyl, trans, G =-1608.264075 ==> 2nd step G = -1608.263154, IRC
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https://data.hpc.imperial.ac.uk/resolve/?doi=13660
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资源简介:
Gaussian 16 (C01) calculation
提供机构:
Imperial College London
创建时间:
2024-01-19



