S2_Table
收藏DataONE2018-03-15 更新2024-06-25 收录
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资源简介:
DFT energy value in each studied dihedral angle using cc-pvtz(-f) for biaryl (1, 4, 5-7, 15, 23-25, 31, 32, 42, 44) and aryl carbonyl fragments (45-47, 50) and cc-pvtz-pp(-f) for 26. Tabulated data to build up the Conformational Energy Profiles for biaryl fragments (1, 4, 5-7, 15, 23-25, 26, 31, 32, 42, 44) and acetophenone 45-47, 49, 50 with a more complex basis sets.
创建时间:
2018-03-15



