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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-ic-c-stilbene_2_3_1246935_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | ts_sc-t-stilbene_2_5_2219348_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | ts_sc-dfTHIO_2_5_2219372_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | ts_ic-thio220_2_3_2219664_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | ts_sc-dmTHIO_2_5_2219374_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | ts_sc-cyclohex_2_5_2219602_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | ts_ic-sty_2_3_2219357_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | ts_sc-t-stilbene_2_3_2219508_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | ts_sc-dfTHIO_2_3_2219371_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | ts_sc-dmTHIO_2_3_2219373_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - |
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