Reaction energy for A<->B reactions
收藏DataCite Commons2023-09-29 更新2025-04-10 收录
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https://data.dtu.dk/articles/dataset/Reaction_energy_for_A_-_B_reactions/20522052/2
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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
提供机构：
Technical University of Denmark
创建时间：
2023-09-29
