Reactant, 360 rotation to explore conformations, Def2-TZVPP + Dispersion/DCM 4 degree steps, maxstep=10, Alternate dihedral, 12 15 16 21
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下载链接:
https://data.hpc.imperial.ac.uk/resolve/?doi=14062
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资源简介:
Gaussian 16 (C01) calculation
提供机构:
Imperial College London
创建时间:
2024-04-20



