Two octafluorocubanes dimer, C2h symmetry B3LYP+GD3-BJ, Def2-TZVPP, gas phase E = -2207.6087231, DE = -5.24, H = -2207.441840, G = -2207.528901, DG = +2.87, F...Centroid 2.859A
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https://data.hpc.imperial.ac.uk/resolve/?doi=11129
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资源简介:
Gaussian 16 (C01) calculation
提供机构:
Imperial College London
创建时间:
2022-09-08



