ArB(OH)2-cyclic-trimer+benzoic+amine-ts, Def2-TZVPP, TS with eliminating H2O, H-bond to O, G = -4197.415435, DG = 29.8
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https://data.hpc.imperial.ac.uk/resolve/?doi=12429
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资源简介:
Gaussian 16 (C01) calculation
提供机构:
Imperial College London
创建时间:
2023-03-30



