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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_sc_2_3_2219330_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | opt_styreneO_0_1_1246741_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | opt_styrene_0_1_2220271_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | opt_sc_0_1_2219697_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | opt_ic-feii_2_5_1247266_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | opt_ic-feii_2_3_1247265_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | opt_ic-cons_2_3_2219332_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | opt_ic-cons_2_5_2219333_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | opt_ic_2_3_2219327_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | opt_dmTHIOO_0_1_1246740_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - |
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