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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2021 | /CeO2 MP2c_CeO2 | Schäfer, Tobias | vasp; 6.0.8; 29Jun18 (build Feb 12 2019 18:48:11) complex | Single point | DFT | - | - | |||
 | 9-Apr-2021 | /CeO2 HF_CeO2 | Schäfer, Tobias | vasp; 6.0.8; 29Jun18 (build Feb 12 2019 18:48:11) complex | Single point | DFT | - | -58.63391127; eV | |||
 | 9-Apr-2021 | /O2 MP2c_O2 | Schäfer, Tobias | vasp; 6.0.8; 29Jun18 (build Feb 12 2019 18:48:11) complex | Single point | DFT | - | - | |||
 | 9-Apr-2021 | /O2 RPAc_O2 | Schäfer, Tobias | vasp; 6.0.8; 29Jun18 (build Feb 12 2019 18:48:11) complex | Single point | DFT | - | - | |||
 | 9-Apr-2021 | /O2 rSOX_O2 | Schäfer, Tobias | vasp; 6.1.0; 28Jan20 (build Oct 11 2020 21:02:46) complex | Single point | DFT | - | - | |||
 | 9-Apr-2021 | /O2 HSE03_O2 | Schäfer, Tobias | vasp; 6.0.8; 29Jun18 (build Feb 12 2019 18:48:11) complex | Single point | DFT | - | -13.70844878; eV | |||
 | 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 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 | /CeO2 HSE03_CeO2 | Schäfer, Tobias | vasp; 6.0.8; 29Jun18 (build Feb 12 2019 18:48:11) complex | Single point | DFT | - | -31.53837316; 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 | - | - |
Results 1-10 of 15 (Search time: 0.001 seconds).