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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_ts_ts2-ic-CH_2_3_1245032_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | frq_ts_ts2-ic-CH_2_5_1240164_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | frq_ts_sc-thio_2_5_2219640_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | frq_ts_ts2-ic-c-stilbene_2_3_1247289_out | Swart, Marcel | ADF; 2019; 304 | Single point | - | - | ||||
![]() | 20-Oct-2023 | frq_ts_sc-t-stilbene_2_3_2219908_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | frq_ts_sc-dmTHIO_2_3_2219632_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | frq_ts_sc-t-stilbene_2_5_2219715_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | frq_ts_sc-dfTHIO_2_5_2219630_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | frq_ts_sc-dmTHIO_2_5_2219633_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
![]() | 20-Oct-2023 | frq_ts_sc-thio_2_3_2219974_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - |
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