标题: Benchmark Energy & Geometry Database [打印本页] 作者Author: hzfish 时间: 2020-1-3 14:17 标题: Benchmark Energy & Geometry Database The Benchmark Energy & Geometry Database (BEGDB) collects results ofhighly accurate QM calculations of molecular structures, energies andproperties. These data can serve as benchmarks for testing andparameterization of other computational methods.