Reaction energy for A<->B reactions
收藏NIAID Data Ecosystem2026-04-30 收录
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https://figshare.com/articles/dataset/Reaction_energy_for_A_-_B_reactions/20522052
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资源简介：
Reaction energy for A->B reactions within QM9 for SZ/DZP/TZP basis set and 76 different postSCF functionals prepared from molecule calculations done with ADF.
This item is part of the collection MultiXC-QM9 with DOI: 10.11583/DTU.c.6185986
创建时间：
2022-09-08
