CH3-I-CC CCSD/Def2-TZVPP G = -412.764471
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https://data.hpc.imperial.ac.uk/resolve/?doi=7165
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资源简介:
Free energies of CH3I + C2 = -336.945633 + -75.765146 = -412.710779. Reaction free energy = +33.4 kcal/mol.
提供机构:
Imperial College London
创建时间:
2020-05-06



