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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 7-Jun-2024 | /Li_ion_diffusion/2_sO1O1_P1 11 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94124.743483; eV | |||
![]() | 7-Jun-2024 | /Li_ion_diffusion/2_sO1O1_P1 12 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94124.883946; eV | |||
![]() | 7-Jun-2024 | /Li_ion_diffusion/2_sO1O1_P1 10 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94125.005306; eV | |||
![]() | 7-Jun-2024 | /Li_ion_diffusion/2_sO1O1_P1 13 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94124.568846; eV | |||
![]() | 7-Jun-2024 | /Li_ion_diffusion/2_sO1O1_P1 05 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94124.202575; eV | |||
![]() | 7-Jun-2024 | /Li_ion_diffusion/2_sO1O1_P1 07 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94125.266842; eV | |||
![]() | 7-Jun-2024 | /Li_ion_diffusion/2_sO1O1_P1 06 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94124.951832; eV | |||
![]() | 7-Jun-2024 | /Li_ion_diffusion/2_sO1C1_P1 01 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94124.248683; eV | |||
![]() | 7-Jun-2024 | /Li_ion_diffusion/2_sO1O1_P2 34 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94123.738146; eV | |||
![]() | 7-Jun-2024 | /Li_ion_diffusion/2_sO1O1_P1 32 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94125.412066; eV |
Results 21-30 of 134 (Search time: 0.002 seconds).