O=ReCpS5, G = -2533.850532 starting from optimised geometry of V 16e analogue -2533.851297 DG = +9.64
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https://data.hpc.imperial.ac.uk/resolve/?doi=15813
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资源简介:
Gaussian 16 (C01) calculation
提供机构:
Imperial College London
创建时间:
2026-03-21



