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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_sO3O3_P2 01 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94125.327645; eV | |||
![]() | 7-Jun-2024 | /Li_ion_diffusion/3_sO3C3_P1 01 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94502.087080; eV | |||
![]() | 7-Jun-2024 | /Li_ion_diffusion/3_sO3O3_P1 34 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94502.099692; eV | |||
![]() | 7-Jun-2024 | /Li_ion_diffusion/3_sO3O3_P1 01 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94502.694026; eV | |||
![]() | 7-Jun-2024 | /Li_ion_diffusion/3_sO3O3_P2 01 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94502.738441; eV | |||
![]() | 7-Jun-2024 | /Li_ion_diffusion/3_sO3O3_P2 34 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94502.299242; eV | |||
![]() | 7-Jun-2024 | /Li_ion_diffusion/3_sC3C3_P2 34 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94500.730833; eV | |||
![]() | 7-Jun-2024 | /Li_ion_diffusion/3_sC3C3_P1 01 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94500.626504; eV | |||
![]() | 7-Jun-2024 | /Li_ion_diffusion/3_sC3C3_P2 01 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94500.775019; eV | |||
![]() | 7-Jun-2024 | /Li_ion_diffusion/3_sC3C3_P1 34 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94500.344086; eV |
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- 134 Fulgides
- 134 Lithium Ion Batteries
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