Browsing by Author Wang, Wei
Showing results 1 to 18 of 18
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Jul-2025 | /Final_state Cu100 | Wang, Wei | QuantumEspresso; 7.2 | Single point | PBE | Ultrasoft | -112824.362179; eV | |||
 | 1-Jul-2025 | /Final_state CuAg100 | Wang, Wei | QuantumEspresso; 7.2 | Single point | PBE | Ultrasoft | -112445.768511; eV | |||
 | 1-Jul-2025 | /Final_state CuAl100 | Wang, Wei | QuantumEspresso; 7.2 | Single point | PBE | Ultrasoft | -111229.845548; eV | |||
 | 1-Jul-2025 | /Final_state CuAu100 | Wang, Wei | QuantumEspresso; 7.2 | Single point | PBE | Ultrasoft | -112316.354827; eV | |||
 | 1-Jul-2025 | /Final_state CuGa100 | Wang, Wei | QuantumEspresso; 7.2 | Single point | PBE | Ultrasoft | -113481.973302; eV | |||
 | 1-Jul-2025 | /Final_state CuPd100 | Wang, Wei | QuantumEspresso; 7.2 | Single point | PBE | Ultrasoft | -112223.498043; eV | |||
 | 1-Jul-2025 | /Initial_state Cu100 | Wang, Wei | QuantumEspresso; 7.2 | Single point | PBE | Ultrasoft | -112823.151526; eV | |||
 | 1-Jul-2025 | /Initial_state CuAg100 | Wang, Wei | QuantumEspresso; 7.2 | Single point | PBE | Ultrasoft | -112444.411527; eV | |||
 | 1-Jul-2025 | /Initial_state CuAl100 | Wang, Wei | QuantumEspresso; 7.2 | Single point | PBE | Ultrasoft | -111228.230038; eV | |||
 | 1-Jul-2025 | /Initial_state CuAu100 | Wang, Wei | QuantumEspresso; 7.2 | Single point | PBE | Ultrasoft | -112315.165798; eV | |||
 | 1-Jul-2025 | /Initial_state CuGa100 | Wang, Wei | QuantumEspresso; 7.2 | Single point | PBE | Ultrasoft | -113480.402537; eV | |||
 | 1-Jul-2025 | /Initial_state CuPd100 | Wang, Wei | QuantumEspresso; 7.2 | Single point | PBE | Ultrasoft | -112222.462773; eV | |||
 | 1-Jul-2025 | /Transition_state Cu100 | Wang, Wei | QuantumEspresso; 7.2 | Single point | PBE | Ultrasoft | -112823.209296; eV | |||
 | 1-Jul-2025 | /Transition_state CuAg100 | Wang, Wei | QuantumEspresso; 7.2 | Single point | PBE | Ultrasoft | -112444.513389; eV | |||
 | 1-Jul-2025 | /Transition_state CuAl100 | Wang, Wei | QuantumEspresso; 7.2 | Single point | PBE | Ultrasoft | -111228.264437; eV | |||
 | 1-Jul-2025 | /Transition_state CuAu100 | Wang, Wei | QuantumEspresso; 7.2 | Single point | PBE | Ultrasoft | -112315.159027; eV | |||
 | 1-Jul-2025 | /Transition_state CuGa100 | Wang, Wei | QuantumEspresso; 7.2 | Single point | PBE | Ultrasoft | -113480.373872; eV | |||
 | 1-Jul-2025 | /Transition_state CuPd100 | Wang, Wei | QuantumEspresso; 7.2 | Single point | PBE | Ultrasoft | -112222.446320; eV |