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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2024 | /redCO2 Ag(111)-(3x3)-EMIM-CO2CH3-EMIM+H+CO2 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -268.24331099; eV | |||
| 26-Mar-2024 | /redCO2 Ag(111)-(3x3)-BMIM-CO2CH3-BMIM+H+CO2 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -301.83590513; eV | |||
| 26-Mar-2024 | /redCO2 Ag(111)-(3x3)-EMIM-CO2CH3-EMIM-CO2+H | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -269.21599683; eV | |||
| 26-Mar-2024 | /redCO2 Ag(111)-(3x3)-BMIM-CO2CH3-BMIM+H | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -279.06517165; eV | |||
| 26-Mar-2024 | /redCO2 Ag(111)-(3x3)-EMIM-CO2CH3-EMIM+H | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -245.66844098; eV | |||
| 26-Mar-2024 | /redCO2 Ag(111)-(3x3)-BMIM-CO2CH3-BMIM+ | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -282.22554502; eV | |||
| 26-Mar-2024 | /redCO2 Ag(111)-(3x3)-BMIM-CO2CH3-BMIM | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -281.19854051; eV |
Results 381-387 of 387 (Search time: 0.002 seconds).
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- 333 Formate
- 333 Formic acid
- 268 Carbon dioxide
- 268 Chalcogens
- 268 Copper
- 268 Electrochemistry
- 268 Heterogeneous catalysis
- 268 Reduction
- 268 Selectivity switch
- 119 Electrochemical CO₂ reduction
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