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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
15-Nov-2022 | 3F-m(solid)_2c | Castro, Abril C. | ADF; 2019 | Single point NMR | PBE | TZ2P | - | ||||
15-Nov-2022 | 3F-m(solv)_2c | Castro, Abril C. | ADF; 2019 | Single point NMR | PBE | TZ2P | - | ||||
15-Nov-2022 | NiF(PH3)2H_2c | Castro, Abril C. | ADF; 2019 | Single point NMR | PBE | TZ2P | - | ||||
15-Nov-2022 | CFCl3_2c | Castro, Abril C. | ADF; 2019 | Single point NMR | PBE | TZ2P | - |
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