Browsing by Author Swart, Marcel
Showing results 510 to 517 of 517
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Oct-2023 | ts_ts2-sc-CH_2_5_1237375_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
 | 20-Oct-2023 | ts_ts2-sc-dha_2_3_1237383_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
 | 20-Oct-2023 | ts_ts2-sc-dha_2_5_1237382_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
 | 20-Oct-2023 | ts_ts2-sc-sty_2_3_1246674_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
 | 20-Oct-2023 | ts_ts2-sc-sty_2_5_1246675_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
 | 20-Oct-2023 | ts_ts2-sc-t-stilbene_2_3_1246492_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
 | 20-Oct-2023 | ts_ts2-sc-t-stilbene_2_5_2219389_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
 | 31-Jan-2019 | Water01 | Swart, Marcel | ADF; 2018 | Geometry optimization | DFT | DZ | - |