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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-2sty_2_5_2219392_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | opt_t-stilbene_0_1_2219706_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | opt_thioO_0_1_2219705_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | opt_thio_0_1_2219704_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | opt_sc-feii_2_5_1247264_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | opt_sc-feii_2_3_1247263_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | opt_sc-cons_2_5_2219335_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | opt_sc-cons_2_3_2219334_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | opt_ic_2_5_2219328_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | opt_sc_2_5_2219331_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - |
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