File S1 - Hybrid RHF/MP2 Geometry Optimizations with the Effective Fragment Molecular Orbital Method
收藏Figshare2015-12-02 更新2026-04-29 收录
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https://figshare.com/articles/dataset/_Hybrid_RHF_MP2_Geometry_Optimizations_with_the_Effective_Fragment_Molecular_Orbital_Method_/937140
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资源简介：
GAMESS input files to calculate the reaction path at the EFMO-RHF/6-31G(d):MP2/cc-pVDZ level of theory. (BZ2)
创建时间：
2015-12-02
