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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Sep-2022 | Ru_NAMI_Me_DMFA_2c+4c | Novotny, Jan | ADF; 2019 | Single point | PBE0 == Not Default == | TZ2P | - | |||
 | 12-Sep-2022 | Ru_KP_OXMe_DMFA_2c+4c | Novotny, Jan | ADF; 2019 | Single point | PBE0 == Not Default == | TZ2P | - | |||
 | 12-Sep-2022 | Ru_NAMI_Me_DMFA_1c | Novotny, Jan | ADF; 2019 | Single point | PBE0 == Not Default == | TZ2P | - | |||
 | 12-Sep-2022 | Ru_KP_Me_VAC_2c | Novotny, Jan | ADF; 2019 | Single point | PBE0 == Not Default == | TZ2P | - | |||
 | 12-Sep-2022 | Ru_KP_Me_DMFA_1c | Novotny, Jan | ADF; 2019 | Single point | PBE0 == Not Default == | TZ2P | - | |||
 | 12-Sep-2022 | Ru_KP_CN_DMFA_1c | Novotny, Jan | ADF; 2019 | Single point | PBE0 == Not Default == | TZ2P | - | |||
 | 12-Sep-2022 | Ru_KP_Me_VAC_1cNMR | Novotny, Jan | ADF; 2019 | Single point NMR | - | - | ||||
 | 12-Sep-2022 | Ru_KP_Me_DMFA_2c+4c | Novotny, Jan | ADF; 2019 | Single point | PBE0 == Not Default == | TZ2P | - | |||
 | 12-Sep-2022 | Ru_KP_OXMe_2aq_2c | Novotny, Jan | ADF; 2019 | Single point | PBE0 == Not Default == | TZ2P | - | |||
 | 9-Jun-2017 | /Butterfly butterfly04 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - |
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- 22 DFT
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Method
- 66 BP86
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- 18 PBE0 ...
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