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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Oct-2019 | GeSe(001)_KNbO3(001) | Amaya Suárez, Javier | vasp; 5.4.1; 24Jun15 (build Nov 04 2017 10:34:10) complex | Single point | DFT | - | -87.08272717; eV | |||
 | 7-Oct-2019 | TlF(001)_KNbO3(001) | Amaya Suárez, Javier | vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex | Single point | DFT | - | -81.87152635; eV | |||
 | 7-Oct-2019 | ZnS(110)_KNbO3(001) | Amaya Suárez, Javier | vasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complex | Single point | DFT | - | -209.63671770; eV | |||
 | 7-Oct-2019 | AgBr(110)_KNbO3(001) | Amaya Suárez, Javier | vasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complex | Single point | DFT | - | -151.51765173; eV | |||
 | 7-Oct-2019 | LaN(110)_KNbO3(001) | Amaya Suárez, Javier | vasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complex | Single point | DFT | - | -349.99020092; eV | |||
 | 7-Oct-2019 | ZnSe(110)_KNbO3(001) | Amaya Suárez, Javier | vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex | Single point | DFT | - | -173.46626492; eV | |||
 | 7-Oct-2019 | BeO(110)_KNbO3(001) | Amaya Suárez, Javier | vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex | Single point | DFT | - | -323.47067175; eV | |||
 | 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 | /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 | /CeO2 rSOX_CeO2 | Schäfer, Tobias | vasp; 6.1.0; 28Jan20 (build Oct 11 2020 21:02:46) complex | Single point | DFT | - | - |
Results 41-50 of 746 (Search time: 0.002 seconds).