CC-IPh + PhO radical, Cs 1,1-TS Def2-TZVPPD G = -912.107762 ΔG =21.0
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https://data.hpc.imperial.ac.uk/resolve/?doi=7609
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资源简介：
1,1 Addition of PhO to PhCCIPh -912.107762 (-46.7) ~18.6 kcal/mol lower after correction than isolated C2 model
提供机构：
Imperial College London
创建时间：
2020-12-05
