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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Aug-2021 | 1a_NMR | Castro, Abril C. | ADF; 2017 | Single point NMR | - | - | ||||
 | 2-Aug-2021 | 2a_NMR | Castro, Abril C. | ADF; 2017 | Single point NMR | - | - | ||||
 | 2-Aug-2021 | 1a_aq_CB7_NMR | Castro, Abril C. | ADF; 2017 | Single point NMR | - | - | ||||
 | 2-Aug-2021 | 1a_aq_NMR | Castro, Abril C. | ADF; 2017 | Single point NMR | - | - | ||||
 | 2-Aug-2021 | 2a_aq_NMR | Castro, Abril C. | ADF; 2017 | Single point NMR | - | - | ||||
 | 2-Aug-2021 | 1a_CB7_NMR | Castro, Abril C. | ADF; 2017 | Single point NMR | - | - | ||||
 | 2-Aug-2021 | 2a_aq_CB7_NMR | Castro, Abril C. | ADF; 2017 | Single point NMR | - | - | ||||
 | 2-Aug-2021 | 2a_CB7_NMR | Castro, Abril C. | ADF; 2017 | Single point NMR | - | - | ||||
 | 15-Nov-2022 | 1pF-d(solid)_2c | Castro, Abril C. | ADF; 2019 | Single point NMR | PBE | TZ2P | - | |||
 | 15-Nov-2022 | 1pF-m(solv)_2c | Castro, Abril C. | ADF; 2019 | Single point NMR | PBE | TZ2P | - |
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