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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
20-Oct-2023 | opt_CHol_0_1_1246648_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | ||||
20-Oct-2023 | opt_CH_0_1_2219683_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | ||||
20-Oct-2023 | ts_ic-dmTHIO_2_3_2219605_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | ||||
20-Oct-2023 | ts_ic-dmTHIO_2_5_2220686_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | ||||
20-Oct-2023 | ts_ic-sty220_2_3_2219663_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | ||||
20-Oct-2023 | ts_ic-sty220_2_5_2219662_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | ||||
20-Oct-2023 | ts_ic-CH_2_3_2219337_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - |
Results 101-107 of 107 (Search time: 0.001 seconds).