Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
![]() | c00001 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -129138.535118; eV | ||
![]() | c00002 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -129138.572542; eV | ||
![]() | c00004 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -129138.508269; eV | ||
![]() | c00006 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -129138.433581; eV | ||
![]() | c00007 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -129138.492320; eV | ||
![]() | c00008 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -129138.550664; eV | ||
![]() | c00009 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -129138.490509; eV | ||
![]() | c00010 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -129138.497344; eV | ||
![]() | c00011 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -129138.444148; eV | ||
![]() | c00041 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -129138.208111; eV | ||
![]() | c00003 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -129138.269083; eV | ||
![]() | c00005 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -129138.460198; eV | ||
![]() | c00012 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -129138.648491; eV | ||
![]() | c00013 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -129138.490676; eV | ||
![]() | c00014 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -129138.554148; eV | ||
![]() | c00015 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -129138.571427; eV | ||
![]() | c00016 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -129138.495063; eV | ||
![]() | c00017 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -129138.461482; eV | ||
![]() | c00018 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -129138.525852; eV | ||
![]() | c00019 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -129138.513176; eV | ||
![]() | c00020 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -129138.499283; eV | ||
![]() | c00021 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -129138.486134; eV | ||
![]() | c00022 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -129138.495853; eV | ||
![]() | c00023 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -129138.264234; eV | ||
![]() | c00024 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -129138.470631; eV |
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