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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 2_sC1C1C1 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -129773.508078; eV | |||
 | 7-Jun-2024 | /Adsorption_3_molecules 2_sO1O1O1 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -129776.952262; eV | |||
 | 7-Jun-2024 | /Adsorption_3_molecules 2_sO1C1C1 | Dietrich, Fabian | QuantumEspresso; 7.0 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -129774.673863; eV | |||
 | 7-Jun-2024 | /Adsorption_3_molecules 2_sO2O2O2 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -129776.536685; eV | |||
 | 7-Jun-2024 | /Adsorption_3_molecules 2_sC2C2C2 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -129771.333743; eV | |||
 | 7-Jun-2024 | /Adsorption_3_molecules 2_sO3O3O3 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -129776.807382; eV | |||
 | 7-Jun-2024 | /Adsorption_3_molecules 2_sC4C4C4 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -129761.608183; eV | |||
 | 7-Jun-2024 | /Adsorption_3_molecules 2_sC3C3C3 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -129773.474065; eV | |||
 | 7-Jun-2024 | /Li_ion_diffusion/2_sO1O1_P1 09 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94125.187325; eV | |||
 | 7-Jun-2024 | /Li_ion_diffusion/2_sO1O1_P1 08 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94125.328651; eV |
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- 134 Fulgides
- 134 Lithium Ion Batteries
- 134 Smart Surfaces
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- 134 SLA PW PBX PBC