FAIRsharing record for: The Benchmark Energy & Geometry Database
收藏DataCite Commons2024-12-05 更新2025-04-15 收录
下载链接:
https://fairsharing.org/10.25504/FAIRsharing.nbe4fq
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资源简介:
This FAIRsharing record describes: The Benchmark Energy & Geometry Database (BEGDB) collects results of highly accurate QM calculations of molecular structures, energies and properties. These data can serve as benchmarks for testing and parameterization of other computational methods.
提供机构:
FAIRsharing
创建时间:
2018-02-22



