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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-9 | Castro, Abril | ADF; 2019 | Single point NMR | PBE | - | - | ||||
5-Nov-2020 | snap-20 | Castro, Abril | ADF; 2019 | Single point NMR | PBE | - | - | ||||
5-Nov-2020 | snap-24 | 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-23 | 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-22 | 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-32 | Castro, Abril | ADF; 2019 | Single point NMR | PBE | - | - | ||||
5-Nov-2020 | snap-33 | Castro, Abril | ADF; 2019 | Single point NMR | PBE | - | - |
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