CH3-I-CC CCSD/Def2-TZVPP G = -412.764471

Name: CH3-I-CC CCSD/Def2-TZVPP G = -412.764471
Creator: Imperial College London
Published: 2020-05-06T15:34:17+08:00

DataCite Commons2025-02-14 更新2025-04-16 收录

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Free energies of CH3I + C2 = -336.945633 + -75.765146 = -412.710779. Reaction free energy = +33.4 kcal/mol.

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2020-05-06