CH3-I-CC CCSD(T)/Def2-TZVPPD/SCRF=DCM E -412.8495128 (reactant) TS migration from reactant E = 412.7893362 (13.7 below CC + IMe) G = -412.777622
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下载链接:
https://data.hpc.imperial.ac.uk/resolve/?doi=7246
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资源简介:
Gaussian 16 calculation
提供机构:
Imperial College London
创建时间:
2020-06-13



