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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Jul-2021 | NbO5_5H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -2.43910554; Eh | |||
| 28-Jul-2021 | Nb2O7_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.32148541; Eh | |||
| 28-Jul-2021 | Nb2O7_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.26661780; Eh | |||
 | 2-Mar-2021 | /Tungsten/W4O13_2H W4O13_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.54483989; Eh | |||
 | 2-Mar-2021 | /Tungsten/W1O4_0H W1O4_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.79932939; Eh | |||
| 28-Jul-2021 | V08O24_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -10.63347936; Eh | |||
| 28-Jul-2021 | V09O27_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -11.95931517; Eh | |||
| 28-Jul-2021 | V05O16_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -7.06272972; Eh | |||
| 28-Jul-2021 | V09O27_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -11.95538142; Eh | |||
| 28-Jul-2021 | V08O24_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -10.62738481; Eh |
Results 58381-58390 of 104126 (Search time: 0.051 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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