Browsing by Author Chuong Nguyën, Huu

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required30-Oct-2018a1_cleanChuong Nguyën, HuuQuantumEspresso; 6.1Single pointpbeUltrasoft-196888.835360; eV
Login required30-Oct-2018a1_O1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-197755.652585; eV
Login required30-Oct-2018a1_OH1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-197792.552328; eV
Login required30-Oct-2018a1_OOH1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-198660.250974; eV
Login required30-Oct-2018b1_cleanChuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-202554.115288; eV
Login required30-Oct-2018b1_O1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-203418.879521; eV
Login required30-Oct-2018b1_OH1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-203456.425546; eV
Login required30-Oct-2018b1_OOH1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-204324.236762; eV
Login required30-Oct-2018b1nO1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-203421.468372; eV
Login required30-Oct-2018b1nOH1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-203457.720578; eV
Login required30-Oct-2018b1nOOH1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-204325.449562; eV
Login required30-Oct-2018c00001Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208218.943426; eV
Login required5-Nov-2018c00002Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208217.717413; eV
Login required5-Nov-2018c00003Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208217.661857; eV
Login required5-Nov-2018c00004Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208218.933643; eV
Login required5-Nov-2018c00006Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208217.682138; eV
Login required5-Nov-2018c00007Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208217.717506; eV
Login required5-Nov-2018c00008Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208218.005455; eV
Login required5-Nov-2018c00009Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208217.998622; eV
Login required5-Nov-2018c00010Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208217.539542; eV