PhIFCCSiMe3 wB97XD/Def2-SVPP, SCRF=DCM G = -1867.752691 (-1,867.623166 fragmented) = 53.3 (corrected by -28.0)
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https://data.hpc.imperial.ac.uk/resolve/?doi=9886
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资源简介:
Gaussian 16 (C01) calculation
提供机构:
Imperial College London
创建时间:
2021-11-02



