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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
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 | - |
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- 2 ADF