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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 HF_Ce2O3_AF | Schäfer, Tobias | vasp; 6.0.8; 29Jun18 (build Feb 12 2019 18:48:11) complex | Single point | DFT | - | -100.03816203; eV | |||
![]() | 9-Apr-2021 | /Ce2O3_AF MP2c_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 HSE03_Ce2O3_AF | Schäfer, Tobias | vasp; 6.0.8; 29Jun18 (build Feb 12 2019 18:48:11) complex | Single point | DFT | - | -53.13173219; eV | |||
![]() | 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 | - | - |
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