Grubbs catalyst Def2-TZVPPD Ru cyclobutane intermediate ==> TS, G = -1818.928461, DG = 6.9 Cl and P transposed ==> TS G = -1818.93450 IRC
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https://data.hpc.imperial.ac.uk/resolve/?doi=13834
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资源简介:
Gaussian 16 (C01) calculation
提供机构:
Imperial College London
创建时间:
2024-02-15



