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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-4O Pt++4O_(31,33) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -857.47209346; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-4O Pt++4O_(31,34) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -857.00201204; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-4O Pt++4O_(31,36) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -857.46775776; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-4O Pt++4O_(31,35) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -857.35938776; eV | |||
 | 27-Feb-2018 | spiroC5-I7 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | 6-311++g** | -2664.75164356; Eh | |||
 | 27-Feb-2018 | Na-Br-C5-1THF-I5 | Ni, Shaofei | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | - | 6-311++g** | -2841.54625711; Eh | |||
 | 2-Aug-2018 | MDsnap_dimer2_2620 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -2219.69678728; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-4O Pt++4O_(33,34) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -857.18842131; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-4O Pt++4O_(32,35) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -857.30609713; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-4O Pt++4O_(33,35) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -857.28141949; eV |
Results 11611-11620 of 104593 (Search time: 0.008 seconds).
Discover
Subject
- 13599 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4250 Electrochemical CO₂ reduction
- 4232 Conformation analysis
- 4232 N-Oxides
- 3954 Copper
- next >