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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_sO3C3_P2 01 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94122.626361; eV | |||
![]() | 7-Jun-2024 | /Li_ion_diffusion/3_sO3C3_P2 01 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94502.220231; eV | |||
![]() | 7-Jun-2024 | /Li_ion_diffusion/3_sO3C3_P2 34 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94502.239972; eV | |||
![]() | 7-Jun-2024 | /Li_ion_diffusion/3_sO3C3_P1 34 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94501.903364; eV |
Results 131-134 of 134 (Search time: 0.002 seconds).