Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 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 | /CeO2 RPAc_CeO2 | Schäfer, Tobias | vasp; 6.0.8; 29Jun18 (build Feb 12 2019 18:48:11) complex | Single point | DFT | - | - | |||
 | 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 | /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 | /Ce2O3_AF rSOX_Ce2O3_AF | Schäfer, Tobias | vasp; 6.0.8; 29Jun18 (build Feb 12 2019 18:48:11) complex | Single point | DFT | - | - | |||
 | 27-Aug-2021 | /Model_System/Bader CO-Model5 | Vidal López, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complex | Single point | DFT | - | -255.08484320; eV | |||
 | 27-Aug-2021 | /Model_System/Bader CO-Model4 | Vidal López, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complex | Single point | DFT | - | -248.30932129; eV | |||
 | 27-Aug-2021 | /Model_System/Bader CO-Model2 | Vidal López, Anna | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complex | Single point | DFT | - | -220.87120021; eV |
Results 51-60 of 746 (Search time: 0.002 seconds).