endo-TS1 replicating G03 lit calc( Lit: E = -823.545644624, G = -823.400723) E = -823.545644658, G = -823.400161, Single point at lit geometry, sphere 13, ΔE = 0.0000213 kcal/mol, ΔG =0.35 kcal/mol, GN 0.001477267
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下载链接：
https://data.hpc.imperial.ac.uk/resolve/?doi=12407
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资源简介：
Gaussian 16 (C01) calculation
提供机构：
Imperial College London
创建时间：
2023-03-22
