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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 20-Oct-2023 | frq_dfTHIOO_0_1_1247295_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | frq_ic_2_3_2219615_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | frq_dmTHIOO_0_1_1246823_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | frq_ic_2_5_2219616_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | frq_ic_2_1_2219614_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | frq_dfTHIO_0_1_2220290_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | frq_cycoctO_0_1_1246876_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | frq_dmTHIO_0_1_2220292_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | frq_ic_0_1_2219975_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | frq_dha_0_1_2220291_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - |
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