Halogen atom transfer mechanism, doublet for Cu_I after halogen transfer, MN15L/Def2-TZVPP (Ph radical=-231.387761 + -3402.531939 = -3,633.9197, DG = 33.07 G@T355P=58.26 = -3402.547526 ==> 38.8
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https://data.hpc.imperial.ac.uk/resolve/?doi=13432
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资源简介:
Gaussian 16 (C01) calculation
提供机构:
Imperial College London
创建时间:
2023-11-23



