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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Jul-2021 | Ta2O7_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.28872224; Eh | |||
| 27-Jul-2021 | TaO4_4H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.88192986; Eh | |||
| 27-Jul-2021 | Ta24O72_9H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -34.38147836; Eh | |||
| 27-Jul-2021 | Ta10O28_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -13.24359822; Eh | |||
| 27-Jul-2021 | Ta8O25_4H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -11.95911228; Eh | |||
| 27-Jul-2021 | Ta8O25_5H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -11.95701536; Eh | |||
| 27-Jul-2021 | Ta6O19_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -9.10238155; Eh | |||
| 27-Jul-2021 | Ta10O28_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -13.27735671; Eh | |||
| 27-Jul-2021 | Ta7O22_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -10.44680634; Eh | |||
| 27-Jul-2021 | Ta04O12_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.64185413; Eh |
Results 57391-57400 of 104126 (Search time: 0.035 seconds).
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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
- 3932 Copper
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