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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Jun-2024 | /Adsorption_3_molecules 3_sO1C1C1 | Dietrich, Fabian | QuantumEspresso; 6.8 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -130341.474539; eV | |||
 | 7-Jun-2024 | /Adsorption_3_molecules 3_sO3C3O3 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -130341.665570; eV | |||
 | 7-Jun-2024 | /Adsorption_3_molecules 3_sO4O4O4 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -130312.369960; eV | |||
 | 7-Jun-2024 | /Li_ion_diffusion/2_sO1O1_P1 27 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94125.029494; eV | |||
 | 7-Jun-2024 | /Li_ion_diffusion/2_sO1O1_P1 25 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94124.365797; eV | |||
 | 7-Jun-2024 | /Li_ion_diffusion/2_sO1O1_P1 31 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94124.802221; eV | |||
 | 7-Jun-2024 | /Li_ion_diffusion/2_sO1O1_P1 29 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94124.893803; eV | |||
 | 7-Jun-2024 | /Li_ion_diffusion/2_sO1O1_P1 30 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94124.801987; eV | |||
 | 7-Jun-2024 | /Li_ion_diffusion/2_sO1O1_P1 28 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94125.011212; eV | |||
 | 7-Jun-2024 | /Li_ion_diffusion/2_sO1O1_P1 23 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94123.851567; eV |
Results 111-120 of 134 (Search time: 0.001 seconds).