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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-3 | Castro, Abril | ADF; 2019 | Single point NMR | PBE | - | - | ||||
5-Nov-2020 | snap-2 | Castro, Abril | ADF; 2019 | Single point NMR | PBE | - | - | ||||
5-Nov-2020 | snap-10 | Castro, Abril | ADF; 2019 | Single point NMR | PBE | - | - | ||||
5-Nov-2020 | snap-11 | 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-27 | 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-15 | 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-16 | Castro, Abril | ADF; 2019 | Single point NMR | PBE | - | - |
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