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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_ic-thio_2_3_2219353_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | ts_sc-dha_2_5_2219186_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | ts_sc-sty_2_5_2219360_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | ts_sc-2sty_2_5_2219394_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | ts_ic-thio220_2_5_2219665_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | ts_ic-sty_2_5_2219358_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | ts_sc-thio_2_5_2219356_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | ts_ic-CH220_2_3_2219675_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | ts_ic-2sty_2_3_2219391_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | ts_ic-2sty_2_5_2219392_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - |
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