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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jun-2020c5_O_H2_in2Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Geometry optimizationPBEUltrasoft-193730.504782; eV
thumbnail.jpeg26-Jun-2020c5_O_OH1_in2Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369Geometry optimizationPBEUltrasoft-194147.468400; eV
thumbnail.jpeg26-Jun-2020c5_Ni_OOH1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Geometry optimizationPBEUltrasoft-194582.389241; eV
thumbnail.jpeg26-Jun-2020c5_Ni_OH1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Geometry optimizationPBEUltrasoft-194146.917559; eV
thumbnail.jpeg26-Jun-2020c5_O_H1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Geometry optimizationPBEUltrasoft-193713.100297; eV
thumbnail.jpeg26-Jun-2020c5_Ni_O1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Geometry optimizationPBEUltrasoft-194129.738646; eV
thumbnail.jpeg26-Jun-2020c00041_out1_001_1_in2Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Geometry optimizationPBEUltrasoft-193693.818524; eV
thumbnail.jpeg26-Jun-2020c00041_out1_001_2_in2Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Geometry optimizationPBEUltrasoft-193695.720388; eV
thumbnail.jpeg26-Jun-2020c5_Zn_OOH1_in2Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Geometry optimizationPBEUltrasoft-194581.585151; eV
thumbnail.jpeg26-Jun-2020c5_Zn_OH1_in2Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950Geometry optimizationPBEUltrasoft-194147.700140; eV
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