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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required30-Oct-2018Mg_OOH1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft; PAW-186709.120379; eV
Login required30-Oct-2018b1_OOH1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-204324.236762; eV
Login required30-Oct-2018b1_cleanChuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-202554.115288; eV
Login required30-Oct-2018MgnOOH1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft; PAW-186709.120379; eV
Login required30-Oct-2018b1nOOH1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-204325.449562; eV
Login required30-Oct-2018b1nOH1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-203457.720578; eV
Login required30-Oct-2018c1nOH1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-209123.645978; eV
Login required30-Oct-2018b1nO1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-203421.468372; eV
Login required30-Oct-2018b1_O1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-203418.879521; eV
Login required30-Oct-2018c1nO1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-209087.176403; eV
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