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Calculations for Zn- and Ni-doped hematite

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Please use this identifier to cite or link to this collection: DOI: 10.19061/iochem-bd-1-95

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Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 46
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
Login required5-Nov-2018c00011Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208217.456728; eV
Login required5-Nov-2018c00012Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208217.874019; eV
Login required5-Nov-2018c00013Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208217.829541; eV
Login required5-Nov-2018c00014Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208217.219790; eV
Login required5-Nov-2018c00015Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208217.305905; eV
Login required5-Nov-2018c00017Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-208217.305905; eV
Login required31-Oct-2018Ni11Chuong Nguyën, HuuQuantumEspresso; Single pointpbeUltrasoft-201778.736391; eV
Login required31-Oct-2018Ni12Chuong Nguyën, HuuQuantumEspresso; Single pointpbeUltrasoft-201779.008566; eV
Login required31-Oct-2018Ni13Chuong Nguyën, HuuQuantumEspresso; Single pointpbeUltrasoft-201777.948379; eV
Login required31-Oct-2018Ni14Chuong Nguyën, HuuQuantumEspresso; Single pointpbeUltrasoft-201777.761030; eV
Login required31-Oct-2018Ni15Chuong Nguyën, HuuQuantumEspresso; Single pointpbeUltrasoft-201777.833220; eV
Login required30-Oct-2018c1nO1Chuong Nguyën, HuuQuantumEspresso; 6.1Geometry optimizationpbeUltrasoft-209087.176403; eV
Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 46
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