B3LYP/Def2-TZVPP, GD3BJ, TS chair t-butyl alt pi-face tran trans with t-butyl group equatorial, 2nd step G = -1608.266205 Dispersion -0.0822209238
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https://data.hpc.imperial.ac.uk/resolve/?doi=14607
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资源简介:
Gaussian 16 (C01) calculation
高斯(Gaussian)16(C01)计算
提供机构:
Imperial College London
创建时间:
2024-09-03



