BOB cycle, TS2 (TS4, Fig 9) with MeNH2 for atom balance, cartesian, -1082.972113, amine on amide, B-O cleavage, TS again, cartesian -1082.980915
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下载链接:
https://data.hpc.imperial.ac.uk/resolve/?doi=4515
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资源简介:
Gaussian Calculation
提供机构:
Imperial College London
创建时间:
2018-06-24



