spinel

CC-BY-4.0

The original dataset source can be reviewed here
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-1-173
PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpegc00001Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369PBEUltrasoft-129138.535118; eV
thumbnail.jpegc4_Fe_O1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950PBEUltrasoft-194128.485837; eV
thumbnail.jpegc4_Fe_OH1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950PBEUltrasoft-194147.306619; eV
thumbnail.jpegc4_Fe_OOH1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950PBEUltrasoft-194582.171917; eV
thumbnail.jpegc4_Ni_O1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950PBEUltrasoft-194128.629241; eV
thumbnail.jpegc4_Ni_OH1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950PBEUltrasoft-194146.891591; eV
thumbnail.jpegc4_Ni_OOH1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950PBEUltrasoft-194582.474696; eV
thumbnail.jpegc4_Zn_O1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950PBEUltrasoft-194129.121031; eV
thumbnail.jpegc4_Zn_OH1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950PBEUltrasoft-194147.702101; eV
thumbnail.jpegc4_Zn_OOH1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950PBEUltrasoft-194581.595059; eV
thumbnail.jpegc5Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950PBEUltrasoft-193695.720482; eV
thumbnail.jpegc5_Fe_O1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950PBEUltrasoft-194129.006029; eV
thumbnail.jpegc5_Fe_OH1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950PBEUltrasoft-194147.001359; eV
thumbnail.jpegc5_Fe_OOH1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950PBEUltrasoft-194582.347824; eV
thumbnail.jpegc5_Ni_O1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950PBEUltrasoft-194129.738646; eV
thumbnail.jpegc5_Ni_OH1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950PBEUltrasoft-194146.917559; eV
thumbnail.jpegc5_Ni_OOH1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950PBEUltrasoft-194582.389241; eV
thumbnail.jpegc5_O_H1Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950PBEUltrasoft-193713.100297; eV
thumbnail.jpegc5_O_H2_in2Chuong Nguyën, HuuQuantumEspresso; 6.2; 13949:13950PBEUltrasoft-193730.504782; eV
thumbnail.jpegc5_O_OH1_in2Chuong Nguyën, HuuQuantumEspresso; 6.1; 13369PBEUltrasoft-194147.468400; eV
Collection's Items (Sorted by in order): 1 to 20 of 174
RSS Feed RSS Feed RSS Feed