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. |
---|---|---|---|---|---|---|---|---|---|---|---|
12-Jun-2017 | Pt411_10HCl20Ptsurf | Almora, Neyvis | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -805.16476521; eV | ||||
12-Jun-2017 | Pt211_1HCl3Ptsurf | Almora, Neyvis | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -118.60490238; eV | ||||
12-Jun-2017 | Pt211_2HCl3Ptsurf | Almora, Neyvis | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -124.30562090; eV | ||||
5-Jan-2023 | AA_Pt4_CO | Garcia, Ricardo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 08:52:35) complex | Single point | DFT | - | -627.56992917; eV | ||||
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 | ||||
5-Jan-2023 | AA_Pt4_CHOH | Garcia, Ricardo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 01 2022 17:30:49) complex | Single point | DFT | - | -632.40502497; eV | ||||
5-Jan-2023 | AA_Pt4_H2O | Garcia, Ricardo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 01 2022 17:30:49) complex | Single point | DFT | - | -625.34800100; eV | ||||
5-Jan-2023 | AA_Pt4_CH3O | Garcia, Ricardo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 08:52:35) complex | Single point | DFT | - | -638.23657044; eV | ||||
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 | /O2 RPAc_O2 | Schäfer, Tobias | vasp; 6.0.8; 29Jun18 (build Feb 12 2019 18:48:11) complex | Single point | DFT | - | - |
Results 1-10 of 779 (Search time: 0.001 seconds).
Discover
Subject
Method
- 776 DFT