exo-TS1 replicating G03 lit calc( Lit: E =-823.534276318, G =-823.387812) => G16 parameters, gas phase, E = -823.534266776, G = -823.387785, GN 0.000004281
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下载链接：
https://data.hpc.imperial.ac.uk/resolve/?doi=13224
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资源简介：
Gaussian 16 (C01) calculation. The reported lit values are essentially replicated.
提供机构：
Imperial College London
创建时间：
2023-09-03
