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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
5-Nov-2020 | snap-24 | Castro, Abril | ADF; 2019 | Single point NMR | PBE | - | - | ||||
5-Nov-2020 | snap-19 | Castro, Abril | ADF; 2019 | Single point NMR | PBE | - | - | ||||
5-Nov-2020 | snap-21 | Castro, Abril | ADF; 2019 | Single point NMR | PBE | - | - | ||||
5-Nov-2020 | snap-28 | Castro, Abril | ADF; 2019 | Single point NMR | PBE | - | - | ||||
5-Nov-2020 | snap-29 | Castro, Abril | ADF; 2019 | Single point NMR | PBE | - | - | ||||
5-Nov-2020 | snap-25 | Castro, Abril | ADF; 2019 | Single point NMR | PBE | - | - | ||||
5-Nov-2020 | snap-27 | Castro, Abril | ADF; 2019 | Single point NMR | PBE | - | - | ||||
5-Nov-2020 | snap-26 | Castro, Abril | ADF; 2019 | Single point NMR | PBE | - | - | ||||
5-Nov-2020 | snap-1 | Castro, Abril | ADF; 2019 | Single point NMR | PBE | - | - | ||||
5-Nov-2020 | snap-34 | Castro, Abril | ADF; 2019 | Single point NMR | PBE | - | - |
Results 21-30 of 228 (Search time: 0.002 seconds).
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Subject
- 22 DFT
- 18 Uranium
- 15 CO2
- 15 Schiff bases
- 15 small molecule activation
- 4 Hafnium
- 4 Luminescence
- 3 Actinides
- 3 Pnictides
Calculation type
Method
- 66 BP86
- 61 DFT
- 58 PBE
- 18 PBE0 ...
- 14 |||
- 7 PBEc revPBEx
- 4 M06-2X ...