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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required26-Jun-2020c4_Fe_OOH1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Geometry optimizationPBEUltrasoft-194582.171917; eV
Login required26-Jun-2020c4_Ni_OOH1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Geometry optimizationPBEUltrasoft-194582.474696; eV
Login required26-Jun-2020c4_Fe_OH1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Geometry optimizationPBEUltrasoft-194147.306619; eV
Login required26-Jun-2020c4_Ni_OH1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Geometry optimizationPBEUltrasoft-194146.891591; eV
Login required26-Jun-2020c4_Zn_O1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Geometry optimizationPBEUltrasoft-194129.121031; eV
Login required26-Jun-2020c4_Fe_O1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Geometry optimizationPBEUltrasoft-194128.485837; eV
Login required26-Jun-2020c4_Ni_O1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Geometry optimizationPBEUltrasoft-194128.629241; eV
Login required26-Jun-2020c00001Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-129138.535118; eV
Login required26-Jun-2020c00041_out1_001_1_in2Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Geometry optimizationPBEUltrasoft-193693.818524; eV
Login required26-Jun-2020c00041_out1_001_2_in2Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Geometry optimizationPBEUltrasoft-193695.720388; eV
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