How dependent are molecular and atomic properties on the electronic structure method? Comparison of Hartree‐Fock,DFT, and MP2 on a biologically relevant set of molecules 期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

How dependent are molecular and atomic properties on the electronic structure method? Comparison of Hartree‐Fock,DFT, and MP2 on a biologically relevant set of molecules

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