initio法相关论文
本文报道用自旋非限制Hartree—Fock方法（Spin Unrestricted Hartree—Fock method简写UHF）对氧合血红蛋白的Fe—O<sub>2</sub>键合......
本文报道用自旋非限制Hartree-Fock方法(spin unrestricted Hartree-Fock method简写UHF)对氧合血红蛋白的Fe-O_2键合态进行ab ini......
