Atomization energies with all basis sets and functionals
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https://data.dtu.dk/articles/dataset/Atomization_energies_with_all_basis_sets_and_functionals/20936530
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资源简介：
This csv file contains atomization energies of the molecules with TZP, SZ, and DZP basis sets. The data is both in CSV and SQLite format. 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：
2022-09-05
