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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Jan-2020 | cH_6Me2BPP-OH_frq | Swart, Marcel | ADF; 2017 | Single point TS | DFT | TZ2P | - | |||
 | 17-Jan-2020 | cH_6Me2BPP-OH_opt | Swart, Marcel | ADF; 2017 | Single point Quild | DFT | TZ2P | - | |||
 | 17-Jan-2020 | cB_BQPA_opt | Swart, Marcel | ADF; 2017 | Single point Quild | DFT | TZ2P | - | |||
 | 17-Jan-2020 | cB_BQPA_frq | Swart, Marcel | ADF; 2017 | Single point TS | DFT | TZ2P | - | |||
 | 17-Jan-2020 | c2DD_frq | Swart, Marcel | ADF; 2017 | Single point TS | DFT | TZ2P | - | |||
 | 17-Jan-2020 | cC_6Me3TPA_frq | Swart, Marcel | ADF; 2017 | Single point TS | DFT | TZ2P | - | |||
 | 17-Jan-2020 | c2DD_opt | Swart, Marcel | ADF; 2017 | Geometry optimization Quild | DFT | TZ2P | - | |||
 | 17-Jan-2020 | m2_opt_frq | Swart, Marcel | ADF; 2017 | Single point TS Quild | DFT | TZ2P | - | |||
 | 17-Jan-2020 | m3_opt_frq | Swart, Marcel | ADF; 2017 | Single point TS Quild | DFT | TZ2P | - | |||
 | 17-Jan-2020 | c2DU_frq | Swart, Marcel | ADF; 2017 | Single point TS | DFT | TZ2P | - |
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