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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Aug-2018c1_O1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-209083.660594; eV
thumbnail.jpeg29-Aug-2018c1_OOH1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-209989.623481; eV
thumbnail.jpeg29-Aug-2018c1_OH1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-209121.892739; eV
thumbnail.jpeg30-Oct-2018b1_OH1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-203456.425546; eV
thumbnail.jpeg30-Oct-2018b1_cleanChuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-202554.115288; eV
thumbnail.jpeg30-Oct-2018b1_O1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-203418.879521; eV
thumbnail.jpeg30-Oct-2018a1_OOH1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-198660.250974; eV
thumbnail.jpeg30-Oct-2018a1_OH1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-197792.552328; eV
thumbnail.jpeg30-Oct-2018a1_O1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-197755.652585; eV
thumbnail.jpeg30-Oct-2018a1_cleanChuong Nguyën, HuuQuantumEspresso; 6.1Single pointpbeUltrasoft-196888.835360; eV
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