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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
9-Apr-2021 | /Ce2O3_AF RPAc_Ce2O3_AF | Schäfer, Tobias | vasp; 6.0.8; 29Jun18 (build Feb 12 2019 18:48:11) complex | Single point | DFT | - | - | ||||
9-Apr-2021 | /Ce2O3_AF rSOX_Ce2O3_AF | Schäfer, Tobias | vasp; 6.0.8; 29Jun18 (build Feb 12 2019 18:48:11) complex | Single point | DFT | - | - | ||||
9-Apr-2021 | /O2 HF_O2 | Schäfer, Tobias | vasp; 6.0.8; 29Jun18 (build Feb 12 2019 18:48:11) complex | Single point | DFT | - | -30.32653272; eV | ||||
9-Apr-2021 | /CeO2 RPAc_CeO2 | Schäfer, Tobias | vasp; 6.0.8; 29Jun18 (build Feb 12 2019 18:48:11) complex | Single point | DFT | - | - | ||||
9-Apr-2021 | /CeO2 rSOX_CeO2 | Schäfer, Tobias | vasp; 6.1.0; 28Jan20 (build Oct 11 2020 21:02:46) complex | Single point | DFT | - | - |
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- 15 vasp
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- 15 Single point