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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/3_sC1C1_P2 34 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94500.774861; eV | |||
 | 7-Jun-2024 | /Li_ion_diffusion/3_sO1O1_P2 34 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94502.386630; eV | |||
 | 7-Jun-2024 | /Li_ion_diffusion/3_sC1C1_P1 34 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94500.400635; eV | |||
 | 7-Jun-2024 | /Li_ion_diffusion/3_sC1C1_P1 01 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94501.080559; eV | |||
 | 7-Jun-2024 | /Li_ion_diffusion/3_sO1C1_P1 01 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -94501.796042; eV | |||
 | 7-Jun-2024 | /Conformers_of_2_and_3/QuantumEspresso 3_Closed_4 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -6579.510791; eV | |||
 | 7-Jun-2024 | /Conformers_of_2_and_3/QuantumEspresso 3_Closed_1 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -6579.724908; eV | |||
 | 7-Jun-2024 | /Conformers_of_2_and_3/QuantumEspresso 3_Open_1 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -6580.129475; eV | |||
 | 7-Jun-2024 | /Conformers_of_2_and_3/QuantumEspresso 2_Open_4 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -6391.341344; eV | |||
 | 7-Jun-2024 | /Conformers_of_2_and_3/QuantumEspresso 3_Closed_3 | Dietrich, Fabian | QuantumEspresso; 6.3 | Geometry optimization | SLA PW PBX PBC | Ultrasoft | -6579.708266; eV |
Results 41-50 of 134 (Search time: 0.002 seconds).