Calicheamicin, full system, TS, wB97XD/Def2-svpp ==>crystal conformation -5768.713995 DG = 38.6 (+44.7) ==> 1,4 addition model trans -5771.1155
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https://data.hpc.imperial.ac.uk/resolve/?doi=14681
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资源简介:
Gaussian 16 (C01) calculation
提供机构:
Imperial College London
创建时间:
2024-10-16



